Methods of treating an IL-17A mediated pathological condition

ABSTRACT

The present invention relates neutralizing epitopes of IL-17A and IL-17F and antibodies which bind those epitopes. The present invention also relates to the therapeutic uses of the antibody molecules and methods for producing them.

The present invention relates to neutralising epitopes of IL-17A andIL-17F and antibodies which bind those epitopes. The present inventionalso relates to the therapeutic uses of the antibody molecules andmethods for producing them.

Interleukin 17 (IL-17), also known as CTLA-8 or IL-17A, is apro-inflammatory cytokine which stimulates the secretion of a wide rangeof other cytokines from various non-immune cells. IL-17A is capable ofinducing the secretion of IL-6, IL-8, PGE2, MCP-1 and G-CSF by adherentcells like fibroblasts, keratinocytes, epithelial and endothelial cellsand is also able to induce ICAM-1 surface expression, proliferation of Tcells, and growth and differentiation of CD34+ human progenitors intoneutrophils when cocultured in the presence of irradiated fibroblasts(Fossiez et al., 1998, Int. Rev. Immunol. 16, 541-551). IL-17A ispredominantly produced by activated memory T cells and acts by bindingto a ubiquitously distributed cell surface receptor (IL-17R) (Yao etal., 1997, Cytokine, 9, 794-800). It may also act through binding to acomplex of IL-17RA and IL-17RC (Toy et al., 2006, J. Immunol. 177(11);36-39). IL-17 producing T cells called ‘TH17 cells’ have been implicatedin the pathogenesis of certain cancers (Weaver et al., 2006, Immunity,24, 677-688; Langowski et al., 2006, 442, 461-465; Iwakura and Ishigame,2006, J. Clin. Invest. 116, 5, 1218-1222).

A number of homologues of IL-17 have been identified which have bothsimilar and distinct roles in regulating inflammatory responses. For areview of IL-17 cytokine/receptor families see Dumont, 2003, ExpertOpin. Ther. Patents, 13, 287-303. One such homologue is IL-17F, alsoknown as IL-24 and ML-1, which is around 55% identical to IL-17A and isthought to share the same receptors as IL-17A (Kolls and Linden 2004,Immunity, 21, 467-476; Hymowitz, et al., 2001, EMBO J. 20(19),5332-5341; Kuestner et al., 2007, Journal of Immunology, 179,5462-5473).

Both IL-17A and IL-17F can form both homodimeric and heterodimericproteins, all of which are produced by activated human CD4+ T cells(Wright et al., 2007, J Biol Chem. 282 (18), 13447-13455).

IL-17 may contribute to a number of diseases mediated by abnormal immuneresponses, such as rheumatoid arthritis and air-way inflammation, aswell as organ transplant rejection and antitumour immunity. Inhibitorsof IL-17 activity are well known in the art for example a murineIL-17R:human Fc fusion protein, a murine soluble IL-17R and ananti-IL-17 monoclonal antibody have been used to demonstrate the role ofIL-17 in various models of rheumatoid arthritis (Lubberts et al., J.Immunol. 2001, 167, 1004-1013; Chabaud et al., Arthritis Res. 2001, 3,168-177). In addition, neutralising polyclonal antibodies have been usedto reduce peritoneal adhesion formation (Chung et al., 2002, J. Exp.Med., 195, 1471-1478). Rat derived anti-human IL-17A antibodies weredescribed in WO04/106377. A humanised anti-IL-17A antibody with anaffinity of around 220 pM was described in WO2006/054059. A monoclonalanti-IL-17A fully human antibody with an affinity of around 188 pM wasdescribed in WO2006/013107.

International patent application WO2008/001063 describes a high affinityneutralising anti-IL-17A antibody, CA048_497. Other neutralisingantibodies which bind IL-17A have been described in WO2007/070750 andWO2007/149032.

Antibodies which bind IL-17F and IL-17A/IL-17F heterodimers weredescribed in WO2006/088833. Antibodies which specifically bind theIL-17A/IL-17F heterodimer were described in WO2005/010044.

IL-17F antagonism has been associated with protection against asthma(Kawaguchi et al., 2006, J. Allergy Clin. Immunol. 117(4); 795-801) andIL-17F is also thought to play a role in arthritis pathology (Lubberts2003, Current Opinion in Investigational Drugs, 4 (5), 572-577).

Accordingly dual antagonists of IL-17A and IL-17F may be more effectivethan a sole antagonist in treating IL-17 mediated diseases. Antibodieswhich bind IL-17A and IL-17F were described in WO2007/106769.International patent application PCT/GB2007/003983 (international filingdate 18 Oct. 2007) describes a high affinity antibody, CA048496 whichbinds human IL-17A, IL-17F and IL-17A/F heterodimer, the sequence ofwhich is provided herein below.

The present invention provides novel neutralising epitopes on IL-17A andIL-17F and antibodies which bind to, and/or interact with, thoseepitopes.

In one embodiment the present invention provides a neutralising epitopeof IL-17A which comprises or consists of one or more of the residues,eg. two or more, e.g. three or more, e.g. four or more, selected fromthe group consisting of TYR44, ASN45, TRP51, ASN52 and ASP84 of humanIL-17A (SEQ ID NO:21).

In one embodiment the present invention provides a neutralising epitopeof IL-17A which comprises or consists of one or more of the residuesselected from the group consisting of SER41, TYR44, ASN45, TRP51, ASN52,HIS54, ARG72, HIS73 and ASP84 of human IL-17A (SEQ ID NO:21).

In one embodiment, the present invention provides a neutralising epitopeof IL-17A which comprises or consists of one or more of the residuesselected from the group consisting of SER41, TYR44, ASN45, ARG46, TRP51,ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VAL128, HIS129 and VAL131 ofhuman IL-17A (SEQ ID NO:21).

In one embodiment, the present invention provides a neutralising epitopeof IL-17A which comprises one or more of the residues, eg. two or more,e.g. three or more, e.g. four or more selected from the group consistingof TYR44, ASN45, TRP51, ASN52 and ASP84 of human IL-17A (SEQ ID NO:21)and optionally one or more of the residues selected from the groupconsisting of SER41, ARG46, HIS54, ARG72, HIS73, HIS86, VAL128, HIS129and VAL131 of human IL-17A (SEQ ID NO:21).

In one embodiment, the present invention provides a neutralising epitopeof IL-17A which comprises amino acid residues TYR44, ASN45, TRP51, ASN52and ASP84 of human IL-17A (SEQ ID NO:21) and optionally one or more ofthe residues selected from the group consisting of SER41, ARG46, HIS54,ARG72, HIS73, HIS86, VAL128, HIS129 and VAL131 of human IL-17A (SEQ IDNO:21).

In one embodiment, the neutralising epitope provided by the presentinvention does not comprise one or more of the amino acid residuesselected from the group consisting of ASP80, GLY81 and ASN82 of humanIL-17A (SEQ ID NO:21).

In one embodiment, the neutralising epitope provided by the presentinvention does not comprise one or more of the amino acid residuesselected from the group consisting of ASP80, GLY81, ASN82 and VAL83 ofhuman IL-17A (SEQ ID NO:21).

The present invention also provides a novel neutralising epitope ofhuman IL-17F (SEQ ID NO:22) which comprises or consists of one or moree.g. three or more, e.g. five or more, e.g. ten or more of the followingresidues: SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75,LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, VAL91, PRO92, GLN94,THR126, PRO127, VAL128.

The present invention also provides a novel neutralising epitope ofhuman IL-17F (SEQ ID NO:22) which comprises or consists of one or moree.g. three or more, e.g. five or more, e.g. ten or more of the followingresidues: SER39, MET40, SER41, ARG42, ARG47, ASN53, CYS72, ARG73, ASN74,LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90, VAL91,PRO92, GLN94, THR119, CYS122, VAL125, THR126, PRO127, VAL128.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of one or more e.g. three or more, e.g.five or more, e.g. ten or more of the following residues: SER39, MET40,SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85,ILE86, SER87, MET88, ASN89, VAL91, PRO92, GLN94, THR126, PRO127, VAL128.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of (or further comprises or furtherconsists of) one or more e.g. three or four of the following residues:GLN71, CYS72, ILE86, ASN89, SER90 and VAL128 for example from a firstchain in an IL17f dimer.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of (or further comprises or furtherconsists of) one a residue: ARG47 for example from a second chain in anIL17f dimer.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of one or more e.g. three or more, e.g.five or more, e.g. ten or more of the following residues: GLN71, CYS72,ASN74, LEU75, ILE86, ASN89, SER90, PRO92, VAL128, HIS131 and GLN133 forexample from a first chain in an IL17f dimer.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of (or further comprises or furtherconsists of) one or more e.g. three or four of the following residues:ARG37, SER39, SER41 and ARG47 for example from a second chain in anIL17f dimer.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of one or more e.g. three or more, e.g.five or more, e.g. ten or more of the following residues: GLN71, CYS72,ARG73, ASN74, LEU75, ILE86, SER87 ASN89, SER90, VAL91, PRO92, VAL128,HIS131 and GLN133, for example from a first chain in an IL17f dimer.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of (or further comprises or furtherconsists of) one or more e.g. three or four of the following residues:ASN33, GLN36, ARG37, SER39, SER41, ARG42, ILE44 and ARG47 for examplefrom a second chain in an IL17f dimer.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of one or more e.g. three or more, e.g.five or more, e.g. ten or more of the following residues: GLN12, LYS13,SER24, ISO32, ASN33 GLU34, ASN35, GLN36, VAL38, SER46, ASN53, TYR54,GLN69, ISO78, ASP85, SER87, MET88, ASM89, GLN94, LYS103 and THR126.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of one or more e.g. three or more, e.g.five or more, e.g. ten or more of the following residues: GLN12, SER24,ASN33, GLU34, GLN36, VAL38, ASN53, TYR54, ASP85, MET88, ASM89, andTHR126.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of one or more e.g. three or four of thefollowing residues: GLN12, SER24, ASN33, GLU34, ASP85 and MET88.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of amino acids V33 to V38 inclusive.

In one embodiment the neutralising epitope of human IL-17F (SEQ IDNO:22) comprises or consists of amino acids V87 to Q94 inclusive.

In one embodiment the neutralising epitope of IL-17F further comprisesone or more of the following residues: ILE129, HIS130, H131, V132, Q133.

In one embodiment there is provided one or more neutralising epitope ofhuman IL-17F (SEQ ID NO:22) each independently comprises or consists ofamino acids V33 to V38 inclusive and/or V87 to Q94 inclusive.

In one embodiment the epitope is defined as amino acid residues locatedwithin 4 Å, 3.5 Å or 3.0 Å of a binding entity, such as an antibody orfragment.

The present invention also provides epitopic fragments of IL-17A thatcan be used, if required, as an immunogen to obtain neutralisingantibodies which bind to the neutralising epitope of IL-17A. For exampleepitopic fragments comprising one or more of the amino acid residues ofIL-17A provided herein above, may be used as an immunogen.

The present invention also provides epitopic fragments of IL-17F thatcan be used, if required, as an immunogen to obtain neutralisingantibodies which bind to the neutralising epitope of IL-17F. For exampleepitopic fragments comprising one or more of the amino acid residues ofIL-17F provided herein above, may be used as an immunogen.

The present invention also provides antibodies which bind to, and/orinteract with, a neutralising epitope provided by the present invention.It will be appreciated that an antibody can interact directly orindirectly with an epitope of the present invention, e.g. by directbinding or by allosteric interaction.

The residues in antibody variable domains are conventionally numberedaccording to a system devised by Kabat et al. This system is set forthin Kabat et al., 1987, in Sequences of Proteins of ImmunologicalInterest, US Department of Health and Human Services, NIH, USA(hereafter “Kabat et al. (supra)”). This numbering system is used in thepresent specification except where otherwise indicated.

The Kabat residue designations do not always correspond directly withthe linear numbering of the amino acid residues. The actual linear aminoacid sequence may contain fewer or additional amino acids than in thestrict Kabat numbering corresponding to a shortening of, or insertioninto, a structural component, whether framework or complementaritydetermining region (CDR), of the basic variable domain structure. Thecorrect Kabat numbering of residues may be determined for a givenantibody by alignment of residues of homology in the sequence of theantibody with a “standard” Kabat numbered sequence.

The CDRs of the heavy chain variable domain are located at residues31-35 (CDR-H1), residues 50-65 (CDR-H2) and residues 95-102 (CDR-H3)according to the Kabat numbering system. However, according to Chothia(Chothia, C. and Lesk, A. M. J. Mol. Biol., 196, 901-917 (1987)), theloop equivalent to CDR-H1 extends from residue 26 to residue 32. Thus‘CDR-H1’, as used herein, comprises residues 26 to 35, as described by acombination of the Kabat numbering system and Chothia's topological loopdefinition.

The CDRs of the light chain variable domain are located at residues24-34 (CDR-L1), residues 50-56 (CDR-L2) and residues 89-97 (CDR-L3)according to the Kabat numbering system.

In one embodiment the antibodies of the present invention specificallybind to IL-17A. Specifically binding means that the antibodies have agreater affinity for IL-17A polypeptides than for other polypeptides. Inone embodiment the antibodies of the present invention specifically bindto IL-17F. Specifically binding means that the antibodies have a greateraffinity for IL-17F polypeptides than for other polypeptides. In apreferred embodiment the antibodies of the present inventionspecifically bind to IL-17A and IL-17F. Specifically binding means thatthe antibodies have a greater affinity for IL-17A and IL-17Fpolypeptides (including the IL-17A/IL-17F heterodimer) than for otherpolypeptides. Preferably the IL-17A and IL-17F polypeptides are human.In one embodiment the antibody also binds cynomolgus IL-17A and/orIL-17F.

Where an antibody of the present invention binds human IL-17A and humanIL-17F the antibody is not an antibody comprising the sequence given inSEQ ID NO:1 for CDR-H1, the sequence given in SEQ ID NO:2 for CDR-H2,the sequence given in SEQ ID NO:3 for CDR-H3, the sequence given in SEQID NO:4 for CDR-L1, the sequence given in SEQ ID NO:5 for CDR-L2 and thesequence given in SEQ ID NO:6 for CDR-L3.

As used herein, the term ‘neutralising antibody’ describes an antibodythat is capable of neutralising the biological signalling activity ofIL-17A and/or IL17F and/or IL-17A/F heterodimer, for example by blockingbinding of IL-17A and/or IL17F to one or more of their receptors and byblocking binding of the IL-17A/IL-17F heterodimer to one or more of itsreceptors. It will be appreciated that the term ‘neutralising’ as usedherein refers to a reduction in biological signalling activity which maybe partial or complete. Further, it will be appreciated that the extentof neutralisation of IL-17A and IL-17F activity by an antibody whichbinds both IL-17A and IL-17F may be the same or different. In oneembodiment the extent of neutralisation of the activity of theIL-17A/IL-17F heterodimer may be the same or different as the extent ofneutralisation of IL-17A or IL-17F activity.

In one embodiment the invention provides antibodies which bind to,and/or interact with, a neutralising epitope of IL-17A provided by thepresent invention.

Accordingly, in one embodiment the present invention provides aneutralising antibody which binds human IL-17A that binds to, and/orinteracts with, an epitope of human IL-17A comprising or consisting ofone or more e.g. two or more or three or more of the residues selectedfrom the group consisting of TYR44, ASN45, TRP51, ASN52 and ASP84 ofhuman IL-17A (SEQ ID NO:21).

In one embodiment the present invention provides a neutralising antibodywhich binds human IL-17A that binds to an epitope of human IL-17Acomprising ASN52 of human IL-17A (SEQ ID NO:21).

In one embodiment the present invention provides a neutralising antibodywhich binds human IL-17A that binds to an epitope of human IL-17Acomprising ASN52 and ASP84 of human IL-17A (SEQ ID NO:21).

In one embodiment, the present invention provides a neutralisingantibody which binds human IL-17A that binds to an epitope of humanIL-17A which comprises or consists of one or more of the residuesselected from the group consisting of SER41, ASN52, ARG72, HIS73 andASP84 of human IL-17A (SEQ ID NO:21).

In one embodiment, the present invention provides a neutralisingantibody which binds human IL-17A that binds to an epitope of humanIL-17A which comprises or consists of one or more of the residuesselected from the group consisting of SER41, TYR44, ASN45, ARG46, TRP51,ASN52, HIS54, ARG72, HIS73, ASP84, HIS86, VAL128, HIS129 and VAL131 ofhuman IL-17A (SEQ ID NO:21).

In one embodiment an antibody of the present invention does not bind oneor more e.g two or more of the amino acid residues selected from thegroup consisting of ASP80, GLY81 and ASN82 of human IL-17A (SEQ IDNO:21).

In one embodiment an antibody of the present invention does not bind oneor more amino acid residues selected from the group consisting of ASP80,GLY81, ASN82 and VAL83 of human IL-17A (SEQ ID NO:21).

In one embodiment an antibody of the present invention does not bind anyof the following amino acid residues, ASP80, GLY81 and ASN82 of humanIL-17A (SEQ ID NO:21).

In one embodiment the invention provides antibodies which bind to,and/or interact with, a neutralising epitope of IL-17F provided by thepresent invention.

Accordingly, in one embodiment the present invention provides aneutralising antibody which binds human IL-17F that binds to an epitopeof human IL-17F comprising one or more e.g. three or more, e.g. five ormore, e.g. ten or more of the following residues: SER39, MET40, SER41,ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83, GLU84, ASP85, ILE86,SER87, MET88, ASN89, VAL91, PRO92, GLN94, THR126, PRO127, VAL128 of SEQID NO:22 (IL-17F).

In one embodiment the present invention provides a neutralising antibodywhich binds human IL-17F that binds to an epitope of human IL-17F withinone or more of the following regions:

(i) 39-42 (SER39, MET40, SER41, ARG42)

(ii) 47 (ARG47)

(iii) 53 (ASN53)

(iv) 72-75 (CYS72, ARG73, ASN74, LEU75)

(v) 83-92 (LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90,VAL91, PRO92)

(vi) 94 (GLN94)

(vii) 119 (THR119)

(viii) 122 (CYS122)

(ix) 125-128 (VAL125, THR126, PRO127, VAL128).

In one embodiment an antibody of the present invention binds humanIL-17A and human IL-17F.

In one embodiment an antibody of the present invention binds humanIL-17A/F heterodimer.

In one embodiment, an antibody of the present invention binds humanIL-17A and human IL-17A/F heterodimer. In one embodiment an antibody ofthe present invention binds human IL-17F and human IL-17A/F heterodimer.In a preferred embodiment, an antibody of the present invention bindshuman IL-17A, human IL-17F and human IL-17A/F heterodimer.

Accordingly, in one embodiment the present invention provides aneutralising antibody which binds human IL-17A and human IL-17F thatbinds to an epitope of human IL-17A comprising one or more of theresidues selected from the group consisting of TYR44, ASN45, TRP51,ASN52 and ASP84 of SEQ ID NO:21 (IL-17A) wherein the antibody is not anantibody comprising the sequence given in SEQ ID NO:1 for CDR-H1, thesequence given in SEQ ID NO:2 for CDR-H2, the sequence given in SEQ IDNO:3 for CDR-H3, the sequence given in SEQ ID NO:4 for CDR-L1, thesequence given in SEQ ID NO:5 for CDR-L2 and the sequence given in SEQID NO:6 for CDR-L3.

In one embodiment the present invention provides a neutralising antibodywhich binds human IL-17A and human IL-17F that binds to an epitope ofhuman IL-17A comprising ASN52 and ASP84 of SEQ ID NO:21 (IL-17A) andoptionally one or more amino acid residues selected from the groupconsisting of SER41, TYR44, ASN45, ARG46, TRP51, HIS54, ARG72, HIS73,HIS86, VAL128, HIS129 and VAL131 wherein the antibody is not an antibodycomprising the sequence given in SEQ ID NO:1 for CDR-H1, the sequencegiven in SEQ ID NO:2 for CDR-H2, the sequence given in SEQ ID NO:3 forCDR-H3, the sequence given in SEQ ID NO:4 for CDR-L1, the sequence givenin SEQ ID NO:5 for CDR-L2 and the sequence given in SEQ ID NO:6 forCDR-L3.

In one embodiment the present invention provides a neutralising antibodywhich binds human IL-17A and IL-17F that binds to an epitope of humanIL-17F comprising one or more of the amino acid residues selected fromthe group consisting of SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73,ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, VAL91,PRO92, GLN94, THR126, PRO127 and VAL128 of human IL-17F (SEQ ID NO:22)wherein the antibody is not an antibody comprising the sequence given inSEQ ID NO:1 for CDR-H1, the sequence given in SEQ ID NO:2 for CDR-H2,the sequence given in SEQ ID NO:3 for CDR-H3, the sequence given in SEQID NO:4 for CDR-L1, the sequence given in SEQ ID NO:5 for CDR-L2 and thesequence given in SEQ ID NO:6 for CDR-L3.

In one embodiment the present invention provides a neutralising antibodywhich binds human IL-17A and IL-17F that binds to an epitope of humanIL-17F within one or more of the following regions:

(i) 39-42 (SER39, MET40, SER41, ARG42)

(ii) 47 (ARG47)

(iii) 53 (ASN53)

(iv) 72-75 (CYS72, ARG73, ASN74, LEU75)

(v) 83-92 (LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90,VAL91, PRO92)

(vi) 94 (GLN94)

(vii) 119 (THR119)

(viii) 122 (CYS122)

(ix) 125-128 (VAL125, THR126, PRO127, VAL128).

wherein the antibody is not an antibody comprising the sequence given inSEQ ID NO:1 for CDR-H1, the sequence given in SEQ ID NO:2 for CDR-H2,the sequence given in SEQ ID NO:3 for CDR-H3, the sequence given in SEQID NO:4 for CDR-L1, the sequence given in SEQ ID NO:5 for CDR-L2 and thesequence given in SEQ ID NO:6 for CDR-L3.

In one embodiment the present invention provides a neutralising antibodywhich binds human IL-17A and IL-17F that binds to an epitope of humanIL-17A comprising one or more of the amino acids selected from the groupconsisting of SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72,HIS73, ASP84, HIS86, VAL128, HIS129 and VAL131 of human IL-17A (SEQ IDNO:21) and that binds to an epitope of human IL-17F comprising one ormore of the amino acid residues selected from the group consisting ofSER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73, ASN74, LEU75, LYS83,GLU84, ASP85, ILE86, SER87, MET88, ASN89, VAL91, PRO92, GLN94, THR126,PRO127 and VAL128 of human IL-17F (SEQ ID NO:22) wherein the antibody isnot an antibody comprising the sequence given in SEQ ID NO:1 for CDR-H1,the sequence given in SEQ ID NO:2 for CDR-H2, the sequence given in SEQID NO:3 for CDR-H3, the sequence given in SEQ ID NO:4 for CDR-L1, thesequence given in SEQ ID NO:5 for CDR-L2 and the sequence given in SEQID NO:6 for CDR-L3.

In one embodiment an antibody of the present invention which is capableof binding to both IL-17A and IL-17F is capable of neutralising theactivity of both isoforms of IL-17. In particular, in one embodiment anantibody of the present invention is capable of specifically binding toboth IL-17A and IL-17F i.e. the antibody does not bind to other isoformsof IL-17. Preferably an antibody of the present invention also binds theIL-17A/IL-17F heterodimer. Preferably, an antibody of the presentinvention neutralises the activity of both IL-17A and IL-17F. In oneembodiment an antibody of the present invention also neutralises theactivity of the IL-17A/IL-17F heterodimer. The antibodies provided bythis aspect of the present invention therefore have the advantageousproperty that they can inhibit the biological activity of both IL-17Aand IL-17F. Accordingly, the present invention also provides the use ofsuch antibodies in the treatment of and/or prophylaxis of a diseasemediated by either or both of IL-17A or IL-17F such as autoimmune orinflammatory disease or cancer.

IL-17A or IL-17F polypeptides or a mixture of the two or cellsexpressing one or both of said polypeptides can be used to produceantibodies which specifically recognise one or both polypeptides. TheIL-17 polypeptides (IL-17A and IL-17F) may be ‘mature’ polypeptides orbiologically active fragments or derivatives thereof which preferablyinclude the receptor binding site. Preferably the IL-17 polypeptides arethe mature polypeptides provided in SEQ ID NOs 21 and 22 for IL-17A andIL-17F respectively. IL-17 polypeptides may be prepared by processeswell known in the art from genetically engineered host cells comprisingexpression systems or they may be recovered from natural biologicalsources. In the present application, the term “polypeptides” includespeptides, polypeptides and proteins. These are used interchangeablyunless otherwise specified. The IL-17 polypeptide may in some instancesbe part of a larger protein such as a fusion protein for example fusedto an affinity tag. Antibodies generated against these polypeptides maybe obtained, where immunisation of an animal is necessary, byadministering the polypeptides to an animal, preferably a non-humananimal, using well-known and routine protocols, see for example Handbookof Experimental Immunology, D. M. Weir (ed.), Vol 4, BlackwellScientific Publishers, Oxford, England, 1986). Many warm-bloodedanimals, such as rabbits, mice, rats, sheep, cows or pigs may beimmunized. However, mice, rabbits, pigs and rats are generallypreferred.

Antibodies for use in the present invention include whole antibodies andfunctionally active fragments or derivatives thereof and may be, but arenot limited to, monoclonal, multi-valent, multi-specific, fully human,humanized or chimeric antibodies, domain antibodies e.g. VH, VL, VHH,single chain antibodies, Fab fragments, Fab′ and F(ab′)₂ fragments andepitope-binding fragments of any of the above. Other antibody fragmentsinclude those described in International patent applicationsWO2005003169, WO2005003170 and WO2005003171. Antibody fragments andmethods of producing them are well known in the art, see for exampleVerma et al., 1998, Journal of Immunological Methods, 216, 165-181;Adair and Lawson, 2005. Therapeutic antibodies. Drug DesignReviews—Online 2(3):209-217.

Antibodies for use in the present invention include immunoglobulinmolecules and immunologically active portions of immunoglobulinmolecules, i.e. molecules that contain an antigen binding site thatspecifically binds an antigen. The immunoglobulin molecules of theinvention can be of any class (e.g. IgG, IgE, IgM, IgD and IgA) orsubclass of immunoglobulin molecule. The constant region domains of theantibody molecule of the present invention, if present, may be selectedhaving regard to the proposed function of the antibody molecule, and inparticular the effector functions which may be required. For example,the constant region domains may be human IgA, IgD, IgE, IgG or IgMdomains. In particular, human IgG constant region domains may be used,especially of the IgG1 and IgG3 isotypes when the antibody molecule isintended for therapeutic uses and antibody effector functions arerequired. Alternatively, IgG2 and IgG4 isotypes may be used when theantibody molecule is intended for therapeutic purposes and antibodyeffector functions are not required, e.g. for simply blocking IL-17activity. It will be appreciated that sequence variants of theseconstant region domains may also be used. For example IgG4 molecules inwhich the serine at position 241 has been changed to proline asdescribed in Angal et al., Molecular Immunology, 1993, 30 (1), 105-108may be used. Particularly preferred is the IgG4 constant domaincomprising this change. It will also be understood by one skilled in theart that antibodies may undergo a variety of posttranslationalmodifications. The type and extent of these modifications often dependson the host cell line used to express the antibody as well as theculture conditions. Such modifications may include variations inglycosylation, methionine oxidation, diketopiperazine formation,aspartate isomerization and asparagine deamidation. A frequentmodification is the loss of a carboxy-terminal basic residue (such aslysine or arginine) due to the action of carboxypeptidases (as describedin Harris, R J. Journal of Chromatography 705:129-134, 1995).

Monoclonal antibodies may be prepared by any method known in the artsuch as the hybridoma technique (Kohler & Milstein, 1975, Nature,256:495-497), the trioma technique, the human B-cell hybridoma technique(Kozbor et al., 1983, Immunology Today, 4:72) and the EBV-hybridomatechnique (Cole et al., Monoclonal Antibodies and Cancer Therapy, pp77-96, Alan R Liss, Inc., 1985).

Antibodies for use in the invention may also be generated using singlelymphocyte antibody methods by cloning and expressing immunoglobulinvariable region cDNAs generated from single lymphocytes selected for theproduction of specific antibodies by for example the methods describedby Babcook, J. et al., 1996, Proc. Natl. Acad. Sci. USA93(15):7843-78481; WO92/02551; WO2004/051268 and International PatentApplication number WO2004/106377.

Humanized antibodies are antibody molecules from non-human specieshaving one or more complementarity determining regions (CDRs) from thenon-human species and a framework region from a human immunoglobulinmolecule (see, e.g. U.S. Pat. No. 5,585,089; WO91/09967).

Chimeric antibodies are those antibodies encoded by immunoglobulin genesthat have been genetically engineered so that the light and heavy chaingenes are composed of immunoglobulin gene segments belonging todifferent species. These chimeric antibodies are likely to be lessantigenic. Bivalent antibodies may be made by methods known in the art(Milstein et al., 1983, Nature 305:537-539; WO 93/08829, Traunecker etal., 1991, EMBO J. 10:3655-3659). Multi-valent antibodies may comprisemultiple specificities or may be monospecific (see for example WO92/22853 and WO05/113605).

The antibodies for use in the present invention can also be generatedusing various phage display methods known in the art and include thosedisclosed by Brinkman et al. (in J. Immunol. Methods, 1995, 182: 41-50),Ames et al. (J. Immunol. Methods, 1995, 184:177-186), Kettleborough etal. (Eur. J. Immunol. 1994, 24:952-958), Persic et al. (Gene, 1997 1879-18), Burton et al. (Advances in Immunology, 1994, 57:191-280) and WO90/02809; WO 91/10737; WO 92/01047; WO 92/18619; WO 93/11236; WO95/15982; WO 95/20401; and U.S. Pat. Nos. 5,698,426; 5,223,409;5,403,484; 5,580,717; 5,427,908; 5,750,753; 5,821,047; 5,571,698;5,427,908; 5,516,637; 5,780,225; 5,658,727; 5,733,743 and 5,969,108.Techniques for the production of single chain antibodies, such as thosedescribed in U.S. Pat. No. 4,946,778 can also be adapted to producesingle chain antibodies which bind to IL-17A and IL-17F. Also,transgenic mice, or other organisms, including other mammals, may beused to express humanized antibodies.

Fully human antibodies are those antibodies in which the variableregions and the constant regions (where present) of both the heavy andthe light chains are all of human origin, or substantially identical tosequences of human origin, not necessarily from the same antibody.Examples of fully human antibodies may include antibodies produced forexample by the phage display methods described above and antibodiesproduced by mice in which the murine immunoglobulin variable andconstant region genes have been replaced by their human counterparts eg.as described in general terms in EP0546073 B1, U.S. Pat. No. 5,545,806,U.S. Pat. No. 5,569,825, U.S. Pat. No. 5,625,126, U.S. Pat. No.5,633,425, U.S. Pat. No. 5,661,016, U.S. Pat. No. 5,770,429, EP 0438474B1 and EP0463151 B1.

Any suitable method known in the art may be used to determine theresidues bound by an antibody provided by the present invention e.g.hydrogen-deuterium exchange, site-directed mutagenesis, massspectrometry, NMR and X-ray crystallography. See for example the methodsdescribed in WO2007/149032.

The specific region or epitope of the human IL-17A polypeptide and/orthe specific region or epitope of the human IL-17F polypeptide and/orthe specific region or epitope of the human IL-17A/F heterodimer can beidentified by any suitable epitope mapping method known in the art incombination with any one of the antibodies provided by the presentinvention. Examples of such methods include screening peptides ofvarying lengths derived from IL-17A and IL-17F for binding to theantibody of the present invention with the smallest fragment that canspecifically bind to the antibody containing the sequence of the epitoperecognised by the antibody. The IL-17 peptides may be producedsynthetically or by proteolytic digestion of the appropriate IL-17polypeptide. Peptides that bind the antibody can be identified by, forexample, mass spectrometric analysis. In another example, NMRspectroscopy, as described in the Examples herein can be used toidentify residues which interact with an antibody of the presentinvention.

The neutralising antibody molecules provided by the present inventionpreferably have a high binding affinity, preferably nanomolar, even morepreferably picomolar. It will be appreciated that the binding affinityof an antibody according to the present invention for human IL-17A maybe different from the binding affinity of the same antibody for humanIL-17F and/or the IL-17A/F heterodimer. In one example the antibodymolecule of the present invention has an affinity for IL-17A that isgreater than its affinity for IL-17F. In one example the antibodymolecule of the present invention has an affinity for IL-17A which is atleast 10 fold greater than its binding affinity for IL-17F. In oneexample the antibody molecule of the present invention has an affinityfor IL-17A which is at least 50 fold greater than its binding affinityfor IL-17F. In one example the antibody molecule of the presentinvention has an affinity for IL-17A which is at least 100 fold greaterthan its binding affinity for IL-17F. In one example the antibodymolecule of the present invention has an affinity for IL-17F that isgreater than its affinity for IL-17A. In one example the antibodymolecule of the present invention has an affinity for IL-17A that is thesame as its affinity for IL-17F. In one example the antibody molecule ofthe present invention has a picomolar affinity for IL-17A and ananomolar affinity for IL-17F. In one example the antibody molecule ofthe present invention has a nanomolar affinity for IL-17F and apicomolar affinity for IL-17A. In one example the antibody molecule ofthe present invention has a nanomolar affinity for both IL-17A andIL-17F. In one example the antibody molecule of the present inventionhas a picomolar affinity for both IL-17A and IL-17F.

Preferably the antibody molecule of the present invention has a bindingaffinity for IL-17A of better than 10 nM. In one embodiment the antibodymolecule of the present invention has a binding affinity for IL-17A ofbetter than 500 pM. In one embodiment the antibody molecule of thepresent invention has a binding affinity for IL-17A of better than 100pM. In one embodiment the antibody molecule of the present invention hasa binding affinity for IL-17A of better than 20 pM.

Preferably the antibody molecule of the present invention has a bindingaffinity for IL-17F of better than 10 nM. In one embodiment the antibodyof the present invention has an affinity for IL-17F of better than 2 nM.In one embodiment the antibody of the present invention has an affinityfor IL-17F of better than 500 pM. In one embodiment the antibodymolecule of the present invention has a binding affinity for IL-17F ofbetter than 100 pM.

Preferably the antibody molecule of the present invention has a bindingaffinity for IL-17A/F heterodimer of better than 10 nM. In oneembodiment the antibody molecule of the present invention has a bindingaffinity for IL-17A/F heterodimer of better than 500 pM. In oneembodiment the antibody molecule of the present invention has a bindingaffinity for IL-17A/F heterodimer of better than 100 pM.

In one embodiment the antibody molecule of the present invention has abinding affinity for cynomolgus IL-17F of better than 2 nM.

It will be appreciated that the affinity of antibodies provided by thepresent invention may be altered using any suitable method known in theart. The present invention therefore also relates to variants of theantibody molecules of the present invention, which have an improvedaffinity for IL-17A and/or IL-17F. Such variants can be obtained by anumber of affinity maturation protocols including mutating the CDRs(Yang et al., J. Mol. Biol., 254, 392-403, 1995), chain shuffling (Markset al., Bio/Technology, 10, 779-783, 1992), use of mutator strains of E.coli (Low et al., J. Mol. Biol., 250, 359-368, 1996), DNA shuffling(Patten et al., Curr. Opin. Biotechnol., 8, 724-733, 1997), phagedisplay (Thompson et al., J. Mol. Biol., 256, 77-88, 1996) and sexualPCR (Crameri et al., Nature, 391, 288-291, 1998). Vaughan et al. (supra)discusses these methods of affinity maturation.

In one embodiment the antibody molecules of the present inventionneutralise IL-17A and IL-17F activity, for example in the in vitroassays described in the Examples. In one embodiment the presentinvention provides a neutralising antibody having specificity for humanIL-17A and IL-17F which is capable of inhibiting the activity of 0.8 nMhuman IL-17A by 50% at a concentration of less than 5 nM and theactivity of 4.2 nM IL-17F by 50% at a concentration of less than 12 nMsaid inhibitory activity being measured on the IL-17A or IL-17F inducedrelease of IL-6 from Hela cells. In one embodiment the concentration ofantibody which inhibits IL-17A by 50% is less than 3 nM. In oneembodiment the concentration of antibody which inhibits IL-17F by 50% isless than 11 nM. In one embodiment the human IL-17A and human IL-17Fused in the assay are recombinant human IL-17A and IL-17F. In oneembodiment the neutralising antibody is a humanised or fully humanantibody.

If desired an antibody for use in the present invention may beconjugated to one or more effector molecule(s). It will be appreciatedthat the effector molecule may comprise a single effector molecule ortwo or more such molecules so linked as to form a single moiety that canbe attached to the antibodies of the present invention. Where it isdesired to obtain an antibody fragment linked to an effector molecule,this may be prepared by standard chemical or recombinant DNA proceduresin which the antibody fragment is linked either directly or via acoupling agent to the effector molecule. Techniques for conjugating sucheffector molecules to antibodies are well known in the art (see,Hellstrom et al., Controlled Drug Delivery, 2nd Ed., Robinson et al.,eds., 1987, pp. 623-53; Thorpe et al., 1982, Immunol Rev., 62:119-58 andDubowchik et al., 1999, Pharmacology and Therapeutics, 83, 67-123).Particular chemical procedures include, for example, those described inWO 93/06231, WO 92/22583, WO 89/00195, WO 89/01476 and WO03031581.Alternatively, where the effector molecule is a protein or polypeptidethe linkage may be achieved using recombinant DNA procedures, forexample as described in WO 86/01533 and EP0392745.

The term effector molecule as used herein includes, for example,antineoplastic agents, drugs, toxins, biologically active proteins, forexample enzymes, other antibody or antibody fragments, synthetic ornaturally occurring polymers, nucleic acids and fragments thereof e.g.DNA, RNA and fragments thereof, radionuclides, particularly radioiodide,radioisotopes, chelated metals, nanoparticles and reporter groups suchas fluorescent compounds or compounds which may be detected by NMR orESR spectroscopy.

Examples of effector molecules may include cytotoxins or cytotoxicagents including any agent that is detrimental to (e.g. kills) cells.Examples include combrestatins, dolastatins, epothilones, staurosporin,maytansinoids, spongistatins, rhizoxin, halichondrins, roridins,hemiasterlins, taxol, cytochalasin B, gramicidin D, ethidium bromide,emetine, mitomycin, etoposide, tenoposide, vincristine, vinblastine,colchicin, doxorubicin, daunorubicin, dihydroxy anthracin dione,mitoxantrone, mithramycin, actinomycin D, 1-dehydrotestosterone,glucocorticoids, procaine, tetracaine, lidocaine, propranolol, andpuromycin and analogs or homologs thereof.

Effector molecules also include, but are not limited to, antimetabolites(e.g. methotrexate, 6-mercaptopurine, 6-thioguanine, cytarabine,5-fluorouracil decarbazine), alkylating agents (e.g. mechlorethamine,thioepa chlorambucil, melphalan, carmustine (BSNU) and lomustine (CCNU),cyclothosphamide, busulfan, dibromomannitol, streptozotocin, mitomycinC, and cis-dichlorodiamine platinum (II) (DDP) cisplatin),anthracyclines (e.g. daunorubicin (formerly daunomycin) anddoxorubicin), antibiotics (e.g. dactinomycin (formerly actinomycin),bleomycin, mithramycin, anthramycin (AMC), calicheamicins orduocarmycins), and anti-mitotic agents (e.g. vincristine andvinblastine).

Other effector molecules may include chelated radionuclides such as¹¹¹In and ⁹⁰Y, Lu¹⁷⁷, Bismuth²¹³, Californium²⁵², Iridium¹⁹² andTungsten¹⁸⁸/Rhenium¹⁸⁸; or drugs such as but not limited to,alkylphosphocholines, topoisomerase I inhibitors, taxoids and suramin.

Other effector molecules include proteins, peptides and enzymes. Enzymesof interest include, but are not limited to, proteolytic enzymes,hydrolases, lyases, isomerases, transferases. Proteins, polypeptides andpeptides of interest include, but are not limited to, immunoglobulins,toxins such as abrin, ricin A, pseudomonas exotoxin, or diphtheriatoxin, a protein such as insulin, tumour necrosis factor, α-interferon,β-interferon, nerve growth factor, platelet derived growth factor ortissue plasminogen activator, a thrombotic agent or an anti-angiogenicagent, e.g. angiostatin or endostatin, or, a biological responsemodifier such as a lymphokine, interleukin-1 (IL-1), interleukin-2(IL-2), interleukin-6 (IL-6), granulocyte macrophage colony stimulatingfactor (GM-CSF), granulocyte colony stimulating factor (G-CSF), nervegrowth factor (NGF) or other growth factor and immunoglobulins.

Other effector molecules may include detectable substances useful forexample in diagnosis. Examples of detectable substances include variousenzymes, prosthetic groups, fluorescent materials, luminescentmaterials, bioluminescent materials, radioactive nuclides, positronemitting metals (for use in positron emission tomography), andnonradioactive paramagnetic metal ions. See generally U.S. Pat. No.4,741,900 for metal ions which can be conjugated to antibodies for useas diagnostics. Suitable enzymes include horseradish peroxidase,alkaline phosphatase, beta-galactosidase, or acetylcholinesterase;suitable prosthetic groups include streptavidin, avidin and biotin;suitable fluorescent materials include umbelliferone, fluorescein,fluorescein isothiocyanate, rhodamine, dichlorotriazinylaminefluorescein, dansyl chloride and phycoerythrin; suitable luminescentmaterials include luminol; suitable bioluminescent materials includeluciferase, luciferin, and aequorin; and suitable radioactive nuclidesinclude ¹²⁵I, ¹³¹I, ¹¹¹In and ⁹⁹Tc.

In another example the effector molecule may increase the half-life ofthe antibody in vivo, and/or reduce immunogenicity of the antibodyand/or enhance the delivery of an antibody across an epithelial barrierto the immune system. Examples of suitable effector molecules of thistype include polymers, albumin, albumin binding proteins or albuminbinding compounds such as those described in WO05/117984.

Where the effector molecule is a polymer it may, in general, be asynthetic or a naturally occurring polymer, for example an optionallysubstituted straight or branched chain polyalkylene, polyalkenylene orpolyoxyalkylene polymer or a branched or unbranched polysaccharide, e.g.a homo- or hetero-polysaccharide.

Particular optional substituents which may be present on theabove-mentioned synthetic polymers include one or more hydroxy, methylor methoxy groups.

Particular examples of synthetic polymers include optionally substitutedstraight or branched chain poly(ethyleneglycol), poly(propyleneglycol)poly(vinylalcohol) or derivatives thereof, especially optionallysubstituted poly(ethyleneglycol) such as methoxypoly(ethyleneglycol) orderivatives thereof.

Particular naturally occurring polymers include lactose, amylose,dextran, glycogen or derivatives thereof.

“Derivatives” as used herein is intended to include reactivederivatives, for example thiol-selective reactive groups such asmaleimides and the like. The reactive group may be linked directly orthrough a linker segment to the polymer. It will be appreciated that theresidue of such a group will in some instances form part of the productas the linking group between the antibody fragment and the polymer.

The size of the polymer may be varied as desired, but will generally bein an average molecular weight range from 500 Da to 50000 Da, preferablyfrom 5000 to 40000 Da and more preferably from 20000 to 40000 Da. Thepolymer size may in particular be selected on the basis of the intendeduse of the product for example ability to localize to certain tissuessuch as tumors or extend circulating half-life (for review see Chapman,2002, Advanced Drug Delivery Reviews, 54, 531-545). Thus, for example,where the product is intended to leave the circulation and penetratetissue, for example for use in the treatment of a tumour, it may beadvantageous to use a small molecular weight polymer, for example with amolecular weight of around 5000 Da. For applications where the productremains in the circulation, it may be advantageous to use a highermolecular weight polymer, for example having a molecular weight in therange from 20000 Da to 40000 Da.

Particularly preferred polymers include a polyalkylene polymer, such asa poly(ethyleneglycol) or, especially, a methoxypoly(ethyleneglycol) ora derivative thereof, and especially with a molecular weight in therange from about 15000 Da to about 40000 Da.

In one example antibodies for use in the present invention are attachedto poly(ethyleneglycol) (PEG) moieties. In one particular example theantibody is an antibody fragment and the PEG molecules may be attachedthrough any available amino acid side-chain or terminal amino acidfunctional group located in the antibody fragment, for example any freeamino, imino, thiol, hydroxyl or carboxyl group. Such amino acids mayoccur naturally in the antibody fragment or may be engineered into thefragment using recombinant DNA methods (see for example U.S. Pat. No.5,219,996; U.S. Pat. No. 5,667,425; WO98/25971). In one example theantibody molecule of the present invention is a modified Fab fragmentwherein the modification is the addition to the C-terminal end of itsheavy chain one or more amino acids to allow the attachment of aneffector molecule. Preferably, the additional amino acids form amodified hinge region containing one or more cysteine residues to whichthe effector molecule may be attached. Multiple sites can be used toattach two or more PEG molecules.

Preferably PEG molecules are covalently linked through a thiol group ofat least one cysteine residue located in the antibody fragment. Eachpolymer molecule attached to the modified antibody fragment may becovalently linked to the sulphur atom of a cysteine residue located inthe fragment. The covalent linkage will generally be a disulphide bondor, in particular, a sulphur-carbon bond. Where a thiol group is used asthe point of attachment appropriately activated effector molecules, forexample thiol selective derivatives such as maleimides and cysteinederivatives may be used. An activated polymer may be used as thestarting material in the preparation of polymer-modified antibodyfragments as described above. The activated polymer may be any polymercontaining a thiol reactive group such as an α-halocarboxylic acid orester, e.g. iodoacetamide, an imide, e.g. maleimide, a vinyl sulphone ora disulphide. Such starting materials may be obtained commercially (forexample from Nektar, formerly Shearwater Polymers Inc., Huntsville,Ala., USA) or may be prepared from commercially available startingmaterials using conventional chemical procedures. Particular PEGmolecules include 20K methoxy-PEG-amine (obtainable from Nektar,formerly Shearwater; Rapp Polymere; and SunBio) and M-PEG-SPA(obtainable from Nektar, formerly Shearwater).

In one embodiment, the antibody is a modified Fab fragment which isPEGylated, i.e. has PEG (poly(ethyleneglycol)) covalently attachedthereto, e.g. according to the method disclosed in EP 0948544 [see also“Poly(ethyleneglycol) Chemistry, Biotechnical and BiomedicalApplications”, 1992, J. Milton Harris (ed), Plenum Press, New York,“Poly(ethyleneglycol) Chemistry and Biological Applications”, 1997, J.Milton Harris and S. Zalipsky (eds), American Chemical Society,Washington D.C. and “Bioconjugation Protein Coupling Techniques for theBiomedical Sciences”, 1998, M. Aslam and A. Dent, Grove Publishers, NewYork; Chapman, A. 2002, Advanced Drug Delivery Reviews 2002,54:531-545]. In one example PEG is attached to a cysteine in the hingeregion. In one example, a PEG modified Fab fragment has a maleimidegroup covalently linked to a single thiol group in a modified hingeregion. A lysine residue may be covalently linked to the maleimide groupand to each of the amine groups on the lysine residue may be attached amethoxypoly(ethyleneglycol) polymer having a molecular weight ofapproximately 20,000 Da. The total molecular weight of the PEG attachedto the Fab fragment may therefore be approximately 40,000 Da.

In one embodiment, a neutralising antibody molecule of the presentinvention is a modified Fab fragment having at the C-terminal end of itsheavy chain a modified hinge region containing at least one cysteineresidue to which an effector molecule is attached. Preferably theeffector molecule is PEG and is attached using the methods described in(WO98/25971 and WO2004072116) whereby a lysyl-maleimide group isattached to the cysteine residue at the C-terminal end of the heavychain, and each amino group of the lysyl residue has covalently linkedto it a methoxypoly(ethyleneglycol) residue having a molecular weight ofabout 20,000 Da. The total molecular weight of the PEG attached to theantibody is therefore approximately 40,000 Da.

In another example effector molecules may be attached to antibodyfragments using the methods described in International patentapplications WO2005/003169, WO2005/003170 and WO2005/003171.

The present invention also provides an isolated DNA sequence encodingthe heavy and/or light chain(s) of an antibody molecule of the presentinvention. Preferably, the DNA sequence encodes the heavy or the lightchain of an antibody molecule of the present invention. The DNA sequenceof the present invention may comprise synthetic DNA, for instanceproduced by chemical processing, cDNA, genomic DNA or any combinationthereof.

DNA sequences which encode an antibody molecule of the present inventioncan be obtained by methods well known to those skilled in the art. Forexample, DNA sequences coding for part or all of the antibody heavy andlight chains may be synthesised as desired from the determined DNAsequences or on the basis of the corresponding amino acid sequences.

DNA coding for acceptor framework sequences is widely available to thoseskilled in the art and can be readily synthesised on the basis of theirknown amino acid sequences.

Standard techniques of molecular biology may be used to prepare DNAsequences coding for the antibody molecule of the present invention.Desired DNA sequences may be synthesised completely or in part usingoligonucleotide synthesis techniques. Site-directed mutagenesis andpolymerase chain reaction (PCR) techniques may be used as appropriate.

The present invention also relates to a cloning or expression vectorcomprising one or more DNA sequences of the present invention.Accordingly, provided is a cloning or expression vector comprising oneor more DNA sequences encoding an antibody of the present invention.Preferably, the cloning or expression vector comprises two DNAsequences, encoding the light chain and the heavy chain of the antibodymolecule of the present invention, respectively.

General methods by which the vectors may be constructed, transfectionmethods and culture methods are well known to those skilled in the art.In this respect, reference is made to “Current Protocols in MolecularBiology”, 1999, F. M. Ausubel (ed), Wiley Interscience, New York and theManiatis Manual produced by Cold Spring Harbor Publishing.

Also provided is a host cell comprising one or more cloning orexpression vectors comprising one or more DNA sequences encoding anantibody of the present invention. Any suitable host cell/vector systemmay be used for expression of the DNA sequences encoding the antibodymolecule of the present invention. Bacterial, for example E. coli, andother microbial systems may be used or eukaryotic, for examplemammalian, host cell expression systems may also be used. Suitablemammalian host cells include CHO, myeloma or hybridoma cells.

The present invention also provides a process for the production of anantibody molecule according to the present invention comprisingculturing a host cell containing a vector of the present invention underconditions suitable for leading to expression of protein from DNAencoding the antibody molecule of the present invention, and isolatingthe antibody molecule.

The antibody molecule may comprise only a heavy or light chainpolypeptide, in which case only a heavy chain or light chain polypeptidecoding sequence needs to be used to transfect the host cells. Forproduction of products comprising both heavy and light chains, the cellline may be transfected with two vectors, a first vector encoding alight chain polypeptide and a second vector encoding a heavy chainpolypeptide. Alternatively, a single vector may be used, the vectorincluding sequences encoding light chain and heavy chain polypeptides.

As the antibodies of the present invention are useful in the treatmentand/or prophylaxis of a pathological condition, the present inventionalso provides a pharmaceutical or diagnostic composition comprising anantibody molecule of the present invention in combination with one ormore of a pharmaceutically acceptable excipient, diluent or carrier.Accordingly, provided is the use of an antibody according to the presentinvention for the manufacture of a medicament. The composition willusually be supplied as part of a sterile, pharmaceutical compositionthat will normally include a pharmaceutically acceptable carrier. Apharmaceutical composition of the present invention may additionallycomprise a pharmaceutically-acceptable adjuvant.

The present invention also provides a process for preparation of apharmaceutical or diagnostic composition comprising adding and mixingthe antibody molecule of the present invention together with one or moreof a pharmaceutically acceptable excipient, diluent or carrier.

The antibody molecule may be the sole active ingredient in thepharmaceutical or diagnostic composition or may be accompanied by otheractive ingredients including other antibody ingredients, for exampleanti-TNF, anti-IL-1β, anti-T cell, anti-IFNγ or anti-LPS antibodies, ornon-antibody ingredients such as xanthines.

The pharmaceutical compositions preferably comprise a therapeuticallyeffective amount of the antibody of the invention. The term“therapeutically effective amount” as used herein refers to an amount ofa therapeutic agent needed to treat, ameliorate or prevent a targeteddisease or condition, or to exhibit a detectable therapeutic orpreventative effect. For any antibody, the therapeutically effectiveamount can be estimated initially either in cell culture assays or inanimal models, usually in rodents, rabbits, dogs, pigs or primates. Theanimal model may also be used to determine the appropriate concentrationrange and route of administration. Such information can then be used todetermine useful doses and routes for administration in humans.

The precise therapeutically effective amount for a human subject willdepend upon the severity of the disease state, the general health of thesubject, the age, weight and gender of the subject, diet, time andfrequency of administration, drug combination(s), reaction sensitivitiesand tolerance/response to therapy. This amount can be determined byroutine experimentation and is within the judgement of the clinician.Generally, a therapeutically effective amount will be from 0.01 mg/kg to50 mg/kg, preferably 0.1 mg/kg to 20 mg/kg. Pharmaceutical compositionsmay be conveniently presented in unit dose forms containing apredetermined amount of an active agent of the invention per dose.

Compositions may be administered individually to a patient or may beadministered in combination (e.g. simultaneously, sequentially orseparately) with other agents, drugs or hormones.

The dose at which the antibody molecule of the present invention isadministered depends on the nature of the condition to be treated, theextent of the inflammation present and on whether the antibody moleculeis being used prophylactically or to treat an existing condition.

The frequency of dose will depend on the half-life of the antibodymolecule and the duration of its effect. If the antibody molecule has ashort half-life (e.g. 2 to 10 hours) it may be necessary to give one ormore doses per day. Alternatively, if the antibody molecule has a longhalf life (e.g. 2 to 15 days) it may only be necessary to give a dosageonce per day, once per week or even once every 1 or 2 months.

The pharmaceutically acceptable carrier should not itself induce theproduction of antibodies harmful to the individual receiving thecomposition and should not be toxic. Suitable carriers may be large,slowly metabolised macromolecules such as proteins, polypeptides,liposomes, polysaccharides, polylactic acids, polyglycolic acids,polymeric amino acids, amino acid copolymers and inactive virusparticles.

Pharmaceutically acceptable salts can be used, for example mineral acidsalts, such as hydrochlorides, hydrobromides, phosphates and sulphates,or salts of organic acids, such as acetates, propionates, malonates andbenzoates.

Pharmaceutically acceptable carriers in therapeutic compositions mayadditionally contain liquids such as water, saline, glycerol andethanol. Additionally, auxiliary substances, such as wetting oremulsifying agents or pH buffering substances, may be present in suchcompositions. Such carriers enable the pharmaceutical compositions to beformulated as tablets, pills, dragees, capsules, liquids, gels, syrups,slurries and suspensions, for ingestion by the patient.

Preferred forms for administration include forms suitable for parenteraladministration, e.g. by injection or infusion, for example by bolusinjection or continuous infusion. Where the product is for injection orinfusion, it may take the form of a suspension, solution or emulsion inan oily or aqueous vehicle and it may contain formulatory agents, suchas suspending, preservative, stabilising and/or dispersing agents.Alternatively, the antibody molecule may be in dry form, forreconstitution before use with an appropriate sterile liquid.

Once formulated, the compositions of the invention can be administereddirectly to the subject. The subjects to be treated can be animals.However, it is preferred that the compositions are adapted foradministration to human subjects.

The pharmaceutical compositions of this invention may be administered byany number of routes including, but not limited to, oral, intravenous,intramuscular, intra-arterial, intramedullary, intrathecal,intraventricular, transdermal, transcutaneous (for example, see WO98/20734), subcutaneous, intraperitoneal, intranasal, enteral, topical,sublingual, intravaginal or rectal routes. Hyposprays may also be usedto administer the pharmaceutical compositions of the invention.Typically, the therapeutic compositions may be prepared as injectables,either as liquid solutions or suspensions. Solid forms suitable forsolution in, or suspension in, liquid vehicles prior to injection mayalso be prepared.

Direct delivery of the compositions will generally be accomplished byinjection, subcutaneously, intraperitoneally, intravenously orintramuscularly, or delivered to the interstitial space of a tissue. Thecompositions can also be administered into a lesion. Dosage treatmentmay be a single dose schedule or a multiple dose schedule.

It will be appreciated that the active ingredient in the compositionwill be an antibody molecule. As such, it will be susceptible todegradation in the gastrointestinal tract. Thus, if the composition isto be administered by a route using the gastrointestinal tract, thecomposition will need to contain agents which protect the antibody fromdegradation but which release the antibody once it has been absorbedfrom the gastrointestinal tract.

A thorough discussion of pharmaceutically acceptable carriers isavailable in Remington's Pharmaceutical Sciences (Mack PublishingCompany, N.J. 1991).

It is also envisaged that the antibody of the present invention will beadministered by use of gene therapy. In order to achieve this, DNAsequences encoding the heavy and light chains of the antibody moleculeunder the control of appropriate DNA components are introduced into apatient such that the antibody chains are expressed from the DNAsequences and assembled in situ.

The present invention also provides an antibody molecule for use in thecontrol of inflammatory diseases. Preferably, the antibody molecule canbe used to reduce the inflammatory process or to prevent theinflammatory process.

The present invention also provides an antibody molecule of the presentinvention for use in the treatment or prophylaxis of a pathologicaldisorder that is mediated by IL-17A and/or IL-17F or is associated withan increased level of IL-17A and/or IL-17F. Preferably, the pathologicalcondition is selected from the group consisting of infections (viral,bacterial, fungal and parasitic), endotoxic shock associated withinfection, arthritis, rheumatoid arthritis, asthma, pelvic inflammatorydisease, Alzheimer's Disease, Crohn's disease, inflammatory boweldisease, Ulcerative colitis, Peyronie's Disease, coeliac disease,gallbladder disease, Pilonidal disease, peritonitis, psoriasis,vasculitis, surgical adhesions, stroke, Type I Diabetes, lyme arthritis,meningoencephalitis, immune mediated inflammatory disorders of thecentral and peripheral nervous system such as multiple sclerosis andGuillain-Barr syndrome, other autoimmune disorders, pancreatitis, trauma(surgery), graft-versus-host disease, transplant rejection, cancer (bothsolid tumours such as melanomas, hepatoblastomas, sarcomas, squamouscell carcinomas, transitional cell cancers, ovarian cancers andhematologic malignancies and in particular acute myelogenous leukaemia,chronic myelogenous leukemia, gastric cancer and colon cancer), heartdisease including ischaemic diseases such as myocardial infarction aswell as atherosclerosis, intravascular coagulation, bone resorption,osteoporosis, periodontitis and hypochlorhydia.

The present invention also provides an antibody molecule according tothe present invention for use in the treatment or prophylaxis of pain.

The present invention further provides the use of an antibody moleculeaccording to the present invention in the manufacture of a medicamentfor the treatment or prophylaxis of a pathological disorder that ismediated by IL-17A and/or IL-17F or associated with an increased levelof IL-17A and/or IL-17F. Preferably the pathological disorder isrheumatoid arthritis or multiple sclerosis.

The present invention further provides the use of an antibody moleculeaccording to the present invention in the manufacture of a medicamentfor the treatment or prophylaxis of pain.

An antibody molecule of the present invention may be utilised in anytherapy where it is desired to reduce the effects of IL-17A and/orIL-17F in the human or animal body. IL-17 A and/or IL-17F may becirculating in the body or may be present in an undesirably high levellocalised at a particular site in the body, for example a site ofinflammation.

An antibody molecule according to the present invention is preferablyused for the control of inflammatory disease, autoimmune disease orcancer.

The present invention also provides a method of treating human or animalsubjects suffering from or at risk of a disorder mediated by IL-17Aand/or IL-17F, the method comprising administering to the subject aneffective amount of an antibody molecule of the present invention.

An antibody molecule according to the present invention may also be usedin diagnosis, for example in the in vivo diagnosis and imaging ofdisease states involving IL-17A and/or IL-17F.

The present invention is further described by way of illustration onlyin the following examples, which refer to the accompanying Figures, inwhich:

FIG. 1

-   -   a) Light chain V region of antibody CA028_0496 (SEQ ID NO:7)    -   b) Heavy chain V region of antibody CA028_0496 (SEQ ID NO:9)    -   c) CDRH1 (SEQ ID NO:1), CDRH2 (SEQ ID NO:2), CDRH3 (SEQ ID        NO:3), CDRL1 (SEQ ID NO:4), CDRL2 (SEQ ID NO:5), CDRL3 (SEQ ID        NO:6) of antibody CA028_496.    -   d) Light chain of antibody CA028_496 (SEQ ID NO:11).    -   e) Heavy chain of antibody CA028_496 (SEQ ID NO:15).    -   f) DNA encoding light chain of antibody CA028496 including        signal sequence (SEQ ID NO:14).    -   g) DNA encoding heavy chain of antibody CA028496 including        signal sequence (SEQ ID NO:18)    -   h) Mature human IL-17A.    -   i) Mature human IL-17F.

FIG. 2a ) The effect of antibody CA028_0496 (designated Ab#496 inlegend) on human IL-17 induced IL-6 production from Hela cells. FIG. 2b) The effect of antibody CA028_0496 (designated Ab#496 in legend) onhuman IL-17F induced IL-6 production from Hela cells

DNA MANIPULATIONS AND GENERAL METHODS

E. coli strain INVαF′ (Invitrogen) was used for transformation androutine culture growth. DNA restriction and modification enzymes wereobtained from Roche Diagnostics Ltd. and New England Biolabs. Plasmidpreparations were performed using Maxi Plasmid purification kits(QIAGEN, catalogue No. 12165). DNA sequencing reactions were performedusing the ABI Prism Big Dye terminator sequencing kit (catalogue No.4304149) and run on an ABI 3100 automated sequencer (AppliedBiosystems). Data was analysed using the program AutoAssembler (AppliedBiosystems). Oligonucleotides were obtained from Invitrogen. Theconcentration of IgG was determined using IgG assembly ELISA.

IL-17 Isoforms

Recombinant IL-17A and IL-17F were purchased from R&D Systems.

Recombinant IL-17A/F heterodimer was produced by linking IL-17A andIL-17F using a GS linker. The heterodimer had the following sequence(SEQ ID NO:19)MGITIPRNPGCPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHCPNSFRLEKILVSVGCTCVTPIVHHVAGGGGSGGGGSGGGGSGGGGSRKIPKVGHTFFQKPESCPPVPGGSMKLDIGIINENQRVSMSRNIESRSTSPWNYTVTWDPNRYPSEVVQAQCRNLGCINAQGKEDISMNSVPIQQETLVVRRKHQGCSVSFQLEKVLVTVGCTCVTPVIHHVQRecombinant cynomolgus IL-17F (SEQ ID NO:20)MRKIPKVGHTFFQKPESCPPVPEGSMKLDTGIINENQRVSMSRNIESRSTSPWNYTVTWDPNRYPSEVVQAQCKHLGCINAQGKEDISMNSVPIQQETLVLRRKHQGCSVSFQLEKVLVTVGCTCV TPVIHHVQ

The DNA sequence encoding IL-17A/F heterodimer was chemicallysynthesised by Entelechon GmbH and was subcloned into pET43.1a at theNdeI/XhoI sites.

The DNA sequence encoding cyno L-17F was amplified by PCR using primersthat introduced NdeI and XhoI restriction sites. The PCR products wereligated into pCR4Blunt-TOPO and sequence verified before digestion andligation into pET43.1a at the NdeI/XhoI sites.

pET43.1a DNA encoding IL-17 isoforms was used to transfect BL21(DE3)cells and selected carbenicillin-resistant clones were grown at 37° C.overnight in 2TY broth containing 2% glucose and 50 μg/ml carbenicillin.The cultures were then diluted and grown in the same medium to an OD₆₀₀of 0.5-0.7, induced with 1 mM IPTG and grown at 37° C. for a further 4-5hours.

Cells were harvested by centrifugation and inclusion bodies preparedfrom from the cells. Inclusion bodies were solubilised in 50 mMTris-HCl, 5M guanidinium hydrochloride, 50 mM NaCl, 1 mM EDTA, 2 mMreduced glutathione, 0.2 mM oxidised glutathione, pH 8.5. IL-17 proteinwas refolded by dropwise addition of the solubilised protein to theabove buffer without guanidinium hydrochloride, with vigorous stirring.The final volume was chosen such that the final protein concentrationwas no more than 0.1 mg/ml.

The refolded protein solution was concentrated if required, beforebuffer exchange with 10 mM MES pH6. The protein was then applied to acolumn of Sepharose SP HP equilibrated with 20 mM MES pH6. Protein waseluted with a linear gradient of 0-500 mM NaCl in MES pH6 over 10 columnvolumes. For IL-17F the gradient was extended to 600 mM NaCl. In orderto further purify IL-17, the relevant fraction from the Sepharose SP HPcolumn were pooled, concentrated and diluted with 20 mM CAPSO (pH10) andapplied to a Mono Q column equilibrated with 20 mM CAPSO. Protein waseluted with a linear gradient of 0-250 mM NaCl in 20 mM CAPSO over 20column volumes. Fractions containing IL-17 were pooled and neutralisedusing 1M MES pH6.

Example 1: Production of a Neutralising Anti-IL-17 Antibody

Female Sprague Dawly rats were immunised with recombinant human IL-17(purchased from R & D systems). Rats received four immunisations of 20μg IL-17 in 100 μl Freund's adjuvant. Antibody 225 which binds humanIL-17 was isolated using the methods described in WO04/051268. Genes forthe heavy chain variable domain (VH) and light chain variable domain(VL) of antibody 225 were isolated and sequenced following cloning viareverse transcription PCR.

A series of humanised VL and VH regions were designed using humanV-region acceptor frameworks and by varying the number of donor residuesin the framework regions. Eight grafted VL regions (gL1-8) and 9 graftedVH regions (gH1-9) were designed and genes were built by oligonucleotideassembly and PCR mutagenesis.

The light chain grafted sequences were sub-cloned into the human lightchain expression vector pKH10.1 which contains the DNA encoding thehuman C-Kappa constant region (Km3 allotype). The heavy chain graftedsequences were sub-cloned into the human gamma-4 expression vectorpVhg4P FL, which contains the DNA encoding the human gamma-4 constantregion containing the hinge stabilising mutation S241P (Angal et al.,supra). Plasmids were co-transfected into CHO cells and the antibodiesproduced screened for activity in IL-17 binding and neutralisationassays. Transfections of CHO cells were performed using theLipofectamine™ 2000 procedure according to manufacturer's instructions(InVitrogen, catalogue No. 11668).

The most optimal graft based on expression, affinity and neutralisationpotency (gL7gH9) was selected and named CA028_0496 (also referred toherein as 496). The V region sequences of this antibody are shown inFIG. 1(a) and (b) and in SEQ ID NOs: 7 and 9 for the light chain (gL7)and heavy chains (gH9) respectively.

The heavy chain acceptor framework is the human germline sequence VH31-3 3-07 with framework 4 coming from this portion of the humanJH-region germline JH4. The light chain acceptor framework is the humangermline sequence VK1 2-1-(1) L4, with framework 4 coming from thisportion of the human JK-region germline JK1.

Example 2: Antibody CA028_0496 Neutralises IL-17 and IL-17F and IL-17a/FHeterodimer

HeLa Cells

The potency of antibody CA028_0496 against human recombinant IL-17 andhuman recombinant IL-17F in Hela cells was tested and compared toantibody CDP435 (WO06/054059). Hela cells were obtained from the cellbank at ATCC (ATCC CCL-2). Cells were grown in Dulbecco's modifiedEagle's medium (DMEM) supplemented with 10% foetal calf serum,penicillin, gentamycin and glutamine. 1×10⁴ cells were plated out into96 well flat bottomed tissue culture plates. Cells were incubatedovernight and washed once in assay buffer. Either human IL-17A (25 ngml⁻¹) or human IL-17F (125 ng ml⁻¹) was incubated in the presence of afixed concentration of human TNF-αc this mixture was preincubated withantibody CA028_0496 or antibody CDP435. Cytokine plus antibody was thenadded to the Hela cells which were incubated overnight. The productionof IL-6 in the cell culture supernatant was proportionate to the amountof IL-17A/IL-17F added to the cells. Human IL-6 levels were measured byELISA and quantified by comparison with known standard concentrations ofhuman IL-6.

The data (FIGS. 2a & 2 b) indicates that CA028_0496 potently neutralisedhuman recombinant IL-17A and also had some activity against humanIL-17F. The data from these experiments indicated that antibodyCA028_0496 gave an IC₅₀ of 43 ng/ml against human recombinant IL-17 (25ng ml⁻¹) & 1477 ng/ml against recombinant IL-17F (125 ng ml⁻¹).Accordingly, antibody CA028_0496 gave an IC50 of 0.29M against humanrecombinant IL-17 (0.78 nM) and 10.18 nM against human recombinantIL-17F (4.16 nM) in this assay (calculation based on per IgG assuming amolecular weight of 145,000 as an average IgG4 and assuming that IL-17Aand IL-17F are dimers).

Human Microglia Cells

Human microglia cells (TCS Cellworks) were plated out in a flat bottom96-well plate at 5,000 cells per well in a total volume of 100 μl andleft for 24 hours to attach to the plastic. At this time titrations (5,1, 0.2 and 0.04 μg/ml) of human recombinant IL-17A, human recombinantIL-17F, cynomolgus recombinant IL-17F and human recombinant IL-17A/Fheterodimer in the presence and absence of 10 ng/ml human recombinantTNFα were added to wells in triplicate. Control wells contained nostimulation, IL-17A alone (100 ng/ml), TNFα alone and IL-17A and TNFαtogether. All cytokines were added in a total volume of 110 μl/well,making the total well volume 210 μl. In experiments involvingantibodies, cells were plated out in the same way. After 24 hoursantibodies and cytokines were added at the same time to give the statedfinal concentrations in a total final volume of 200 μl.

After a further 24 hours incubation at 37° C., supernatants wereharvested and frozen at −20° C. until analysis. For analysis,supernatants were diluted 1/10 and measured for IL-6 using a human IL-6MSD kit, according to manufacturer's instructions.

All isoforms of IL-17 tested were found to be active in the assay,particularly in the presence of TNFα.

The potency of antibody CA028_0496 against human recombinant IL-17A andhuman recombinant IL-17F, cynomolgus recombinant IL-17F and humanrecombinant IL-17A/F heterodimer in human microglia cells was tested inthe presence of TNFα and compared to a control antibody and an IL-17Aspecific antibody using the method described above.

The control antibody had no effect on the activity of any of thecytokines tested. Antibody CA028_0496 had inhibitory activity againstall three cytokines IL-17, IL-17F and IL-17A/F, including cynomolgusIL-17F while the IL-17A specific antibody only had inhibitory activityagainst IL-17A and IL-17A/F heterodimer.

Example 3: Affinity of Antibody CA028_0496 (Human IgG4 Constant Regions)for IL-17A and IL-17F

BIA (Biamolecular Interaction Analysis) was performed using a Biacore3000 (BiacoreAB).

All experiments were performed at 25° C. Affinipure Fc Fragment goatanti-human IgG, Fc fragment specific (Jackson ImmunoResearch) wasimmobilised on a CMS Sensor Chip via amine coupling chemistry to acapture level of ≈6000 response units (RUs). HBS-EP buffer (10 mM HEPESpH 7.4, 0.15 M NaCl, 3 mM EDTA, 0.005% Surfactant P20, Biacore AB) wasused as the running buffer with a flow rate of 10 μl/min. A 10 μlinjection of antibody CA028_0496 (1.81 mg/ml) was used for capture bythe immobilised anti-human IgG-Fc. Human IL-17A and IL-17 isoforms weretitrated over the captured CA028_0496 at doubling dilutions from 50 nMto sub nM at a flow rate of 30 μL/min. The surface was regenerated by a30 μL injections of 40 mM HCl, followed by one 5 μL injection of 5 mMNaOH.

Background subtraction binding curves were double referenced andanalysed using the BIAevaluation software (version 3.2) followingstandard procedures. Kinetic parameters were determined from the fittingalgorithm.

The affinity value determined for antibody CA028_0496 binding IL-17A was16 pM and 1750 pM for IL-17F. Antibody CA028_0496 did not bind to theother IL-17 isoforms (IL-17 B, C, D and E). Antibody CA028_0496therefore specifically binds IL-17A and IL-17F.

Example 4: Affinity of Antibody CA028_0496 (Murine IgG1 ConstantRegions) for IL-17A, Cynomolgus IL-17F and IL-17A/F Heterodimer

BIA (Biamolecular Interaction Analysis) was performed using a Biacore3000 (Biacore AB).

All experiments were performed at 25° C. Affinipure F(ab′)₂ fragmentgoat anti-mouse IgG, Fc fragment specific (Jackson ImmunoResearch) wasimmobilised on a CMS Sensor Chip (Biacore AB) via amine couplingchemistry to a capture level of ≈6000 response units (RUs). HBS-EPbuffer (10 mM HEPES pH 7.4, 0.15 M NaCl, 3 mM EDTA, 0.005% SurfactantP20, Biacore AB) was used as the running buffer with a flow rate of 10μL/min. A 10 μL injection of antibody CA028_0496 at 4 ug/mlL was usedfor capture by the immobilised anti-mouse IgG, Fc. Human IL-17A, cynoIL-17F and heterodimer A/F were titrated over the captured CA028_0496 atdoubling dilutions from 25 nM to sub nM at a flow rate of 30 μL/min. Thesurface was regenerated at a flowrate of 10 uL/min by a 10 μL injectionof 40 mM HCl, followed by a 5 μL injection of 5 mM NaOH.

Double referenced background subtracted binding curves were analysedusing the BIAevaluation software (version 3.2) following standardprocedures. Kinetic parameters were determined from the fittingalgorithm.

Antibody CA028_0496 had an affinity of 21 pM for IL-17A, 116 pM forIL-17A/F heterodimer and 1030 pM for cynomolgus IL-17F.

Example 5: Epitope Mapping by NMR of a Fab′ Fragment Comprising theVariable Regions of Antibody CA028_0496

Antibody CA028_0496 was produced as a Fab′ fragment comprising '496variable regions and murine IgG1 constant regions (SEQ ID NO:162323 and241724).

Heavy chain sequence (SEQ ID NO: 231623)EVQLVESGGG LVQPGGSLRL SCAASGFTFS DYNMAWVRQAPGKGLEWVAT ITYEGRNTYY RDSVKGRFTI SRDNAKNSLYLQMNSLRAED TAVYYCASPP QYYEGSIYRL WFAHWGQGTLVTVSSAKTTP PSVYPLAPGS AAQTNSMVTL GCLVKGYFPEPVTVTWNSGS LSSGVHTFPA VLQSDLYTLS SSVTVPSSTWPSETVTCNVA HPASSTKVDK KIVPRDCGCA AAIQLTQSPSSLSASVGDRV TITCRADESV TTLMHWYQQK PGKAPKLLIYLVSNRESGVP SRFSGSGSGT DFTLTISSLQ PEDFATYYCQQTWSDPWTFG QGTKVEIKRT DAAPTVSIFP PSSEQLTSGGASVVCFLNNF YPKDINVKWK IDGSERQNGV LNSWTDQDSKDSTYSMSSTL TLTKDEYERH NSYTCEATHK TSTSPIVKSF NRNEC Light chain sequence(SEQ ID NO: 172424) AIQLTQSPSS LSASVGDRVT ITCRADESVT TLMHWYQQKPGKAPKLLIYL VSNRESGVPS RFSGSGSGTD FTLTISSLQPEDFATYYCQQ TWSDPWTFGQ GTKVEIKTransient Expression of CA028_00496.g1 mFab′ in a 10 L Wave Bioreactor

For the transfection of the HEK 293 F cells in a 10 L wave bag, 10 L ofthe in-house NM6 medium was prepared and supplemented with 2 mM Glutamax(Invitrogen). The cells were counted and seeded into the bag at a finalcell density of 1×10⁶ cells/ml. The transfection mixture was prepared in700 ml of NM6 medium. For the preparation of the transfection mixturethe NM6 medium was divided into two halves. To one half 5 mg of theheavy chain plasmid DNA and 5 mg of the light chain plasmid DNA wasadded and gently shaken. To the other half 37 ml of a 1 mg/ml linear 25kD polyethylenimine (PEI) stock solution was added and gently shaken.Thereafter NM6 medium containing the DNA was slowly transferred to theNM6 medium containing the PEI. The mixture was incubated at roomtemperature for 20 minutes before added to the cell suspension in thewave bag. The transfected cells were cultured over 14 days at 25 rpm, a7° angle, 37° C. and 5% CO2. Samples were taken regularly to determinethe cell density and viability. On day 14 post transfection cells wereharvested. The 10 L cell suspension was transferred to centrifugebottles and spun at 4000 rpm for 45 min. The supernatant was then passedthrough a Sartobran (0.45 μm to 0.2 μm) filter and finally through aMillipack Gold60 (0.22 μm) sterile filter. Fab′ was then purified fromthe sterile filtered supernatant.

Purification of CA028_00496.g1 mFab′

Transiently expressed CA028_00496.g1 mFab′ was purified from mammalianhost cells (HEK293F) as follows. The mammalian host cell conditionedmedium containing secreted CA028_00496.g1 mFab′ was concentrated 10 foldby tangential flow ultrafiltration (TFF) using a 10,000 MWCO membrane.The concentrated supernatant was passed down a GammaBind Plus Sepharosecolumn (media supplied by GE Healthcare) which had been equilibratedwith 75 mM citrate/phosphate buffer, pH6.0. After loading, the GammaBindPlus Sepharose column was washed with 75 mM citrate/phosphate buffer,pH6.0 until the absorbance at 280 nm of the flow-through returned tobaseline. The CA028_00496.g1 mFab′ was then eluted from the column bystepping into 0.1M glycine-HCl buffer, pH2.7. The absorbance at 280 nmof the eluate was monitored and fractions containing protein werecollected. Supernatant loading and column elution were performed in twobatches so as not to exceed the capacity of the column.

Fractions containing protein were combined and buffer exchanged (bydiafiltration) into 0.1M sodium phosphate buffer, pH6.0+2 mM EDTA usingan Amicon stirred cell and 10,000 MWCO membrane. The affinity purifiedCA028_00496.g1 mFab′ was concentrated to 20 mg/ml prior to reduction.Disulphide bonded cysteines at the hinge region were reduced byincubating the Fab′ with 5 mM β-Mercaptoethylamine at 37° C. for 30minutes. The reduction was stopped by adding 50 mM N-Ethylmaleimide(NEM) to cap the reduced thiol groups. The capping reaction wasincubated at +4° C. overnight. Excess capping agent and high molecularweight impurities were removed by preparative Gel Filtration. Thereduced and capped Fab′ was loaded onto a Superdex 200 column (GEHealthcare) and eluted in PBS, pH7.4. The absorbance at 280 nm of theeluate was monitored and fractions containing protein were collected.Fractions were analysed for purity by analytical SE-HPLC using a ZorbaxGF250 column (Agilent) run in 0.2M sodium phosphate buffer, pH7.0.Fractions containing pure Fab′ were combined, 0.22 m sterile filteredand stored at +4° C. Final purity was analysed by SE-HPLC (as above) andnon-reducing and reducing SDS-PAGE.

Preparation of dN- and dCN-Labelled hIL17A

The DNA sequence encoding IL-17A was amplified by PCR using primers thatintroduced NdeI and XhoI restriction sites. The PCR products wereligated into pCR4Blunt-TOPO and sequence verified before digestion andligation into pET43.1a at the NdeI/XhoI sites.

hIL17A-pET43.1a was used to transform E. coli strain BL21(DE3). 1 ml ofLB inoculated with transformed cells. Cells incubated overnight at 37°C. Dense overnight culture used to inoculate 30% dN labelled Celltonemedia at 1:40 dilution. Cells incubated overnight at 37° C. Denseovernight culture then used to inoculate 30% dN- or dCN-labelledCelltone media. Culture incubated overnight at 37° C. This step was thenrepeated with 70% media and then finally with 100% media. 100% dN- ordCN-labelled media inoculated with dense overnight culture and grown to0.8 OD 595 nm. Culture induced with a final concentration 1 mM IPTG andincubated for 6 hours at 37° C. Cells harvested by centrifugation.

Inclusion Bodies Extracted (for 2 L of Culture).

-   -   1) Resuspend cell pellet in 40 ml Buffer A (100 mM KCl, 2 mM        DTT, 2 mM PMSF, 10 mM Tris-HCl pH 8.5, 25% (w/v) sucrose)    -   2) Add 10 ml Buffer B (300 mM Tris-HCl pH 8.5, 100 mM EDTA, 4        mg/ml lysozyme) Incubate on ice for 10-30 minutes with        occasional swirling.    -   3) Add 50 ml Buffer C (1M LiCl, 20 mM EDTA, 0.5% (v/v) NP-40).        Sonicate sample to homogenise. Pass sample through French Press        at 20,000 psi. Pass sample through French Press again. Spin        sample at 10,000 rpm for 10 minutes @ 4° C.    -   4) Resuspend pellet in 40 ml Buffer D (10 mM Tris-HCl pH 8.5,        0.1 mM EDTA, 0.5M LiCl, 0.5% (v/v) NP-40, 1 mM DTT, 1 mM PMSF).        Sonicate to homogenise and spin at 10,000 rpm for 10 minutes @        4° C. Repeat step.    -   5) Resuspend pellet in 40 ml Buffer E (10 mM Tris-HCl pH 8.5,        0.1 mM EDTA, 0.5% (v/v) NP-40, 1 mM DTT, 1 mM PMSF). Sonicate to        homogenise and spin at 10,000 rpm for 10 minutes @ 4° C. Repeat        step.        Resolubilisation of Pellet    -   6) Make up 6M Guanidine HCl, 50 mM Tris-HCl pH8.5, 50 mM NaCl.        Add to pellet. Stir pellet until completely dissolved.

7) Filter sample through a 0.2 uM syringe filter.

Refolding and Dialysis

-   -   1) 2.5 ml resolubilised inclusion bodies diluted into 50 ml of        5M Guanidine-HCl, 50 mM Tris pH8.5, 50 mM NaCl, 1 mM EDTA, 2 mM        reduced-Glutathione, 0.2 mM oxidised-Glutathione.    -   2) Diluted inclusion bodies added drop wise to 500 ml of 50 mM        Tris pH8.5, 50 mM NaCl, 1 mM EDTA, 2 mM reduced-Glutathione, 0.2        mM oxidised-Glutathione.    -   3) Refolded protein dialyse against 20 mM MES pH6 overnight at        4° C.        Purification of Labelled Protein    -   1) Dialysed lysate loaded onto a Mono SP HP (cation) column        equilibrated with 20 mM MES pH6    -   2) Protein eluted with 50% NaCl gradient over 10 column volumes.    -   3) Eluted protein buffer exchanged into 20 mM NaPi, 100 mM NaCl,        0.02% azide pH6 and concentrated and assayed for concentration.        Purification of Unlabelled Protein    -   1) Dialysed lysate loaded onto a Mono SP HP (cation) column        equilibrated with 20 mM MES pH6.    -   2) Protein eluted with 50% gradient of 1M NaCl over 10 column        volumes.    -   3) Eluted protein concentrated and buffer exchanged into 20 mM        CAPSO buffer pH10 and loaded onto a MonoQ column equilibrated        with 20 mM CAPSO buffer pH10.    -   4) Protein eluted with 50% gradient of 1M NaCl over 20 column        volumes.    -   5) Eluted protein concentrated.    -   6) Concentrated protein injected onto a Superdex 75 16?60 column        for a final polishing step. Column equilibrated with 20 mM        HEPES, 50 mM NaCl pH7.4. Eluted protein collected and        concentrated and assayed for concentration.        Principle of the NMR Epitope Mapping Assay

The NMR technology allows the sensitive detection of changes in theenvironment of paramagnetic species. In practice this means that aprotein that has been uniformly ¹⁵N and ²H labelled can be mixed with anunlabelled binding partner and those amino acids in the labelled proteinthat interact with the unlabelled binding partner can be detected astheir position within the NMR spectra change. In this case, human IL-17Awas uniformly labelled and its NMR spectra recorded in the presence andabsence of the Fab′ fragment of an anti-IL-17A antibody. The differencebetween the two spectra enables the amino acids in IL-17A that areinvolved in the interaction with the antibody to be identified.

NMR Spectroscopy

The NMR experiments were carried out on 0.35 mL samples of the proteinsand complexes in a 25 mM sodium phosphate, 100 mM sodium chloride and0.01% (w/v) sodium azide buffer at pH 6 (95% H₂O and 5% D₂O). The 1:2(dimer:Fab) complex between ¹⁵N/²H labelled IL-17A and the unlabelledFab′ fragment of antibody '496 was prepared for NMR analysis by mixingequimolar (monomer:Fab) amounts of the proteins to achieve a finalconcentration of 0.25 mM. The NMR data were acquired at 35° C. for freeIL-17A and for the IL-17A:Fab′ fragment of '496 complex on a 800 MHzBruker Avance spectrometer equipped with a triple-resonance (¹⁵N/¹³C/¹H)cryoprobe. TROSY-based HNCACB, HN(CO)CACB and HNCO spectra (1-4) wereused to make complete sequence-specific backbone resonance assignments(¹⁵N, ¹³C and ¹H) for free IL-17A using a 0.8 mM uniformly ¹⁵N/¹³Clabelled sample.

Changes in the positions of IL-17A backbone signals induced by the Fab′fragment of '496 binding were detected using a 2D ¹⁵N/¹H TROSY spectrum(5). Typical acquisition parameters for all the NMR experiments are setout below.

Basic parameters of NMR experiments. Sweep Carrier Acquisition Indirectwidth offset time Experiment dimension [ppm] [ppm] [ms] TROSY-HNCACB &¹⁵N (F2) 32 118.0 19.3 TROSY-HN(CO)CACB ¹³C (F1) 56 44.0 8.0 TROSY-HNCO¹⁵N (F2) 32 118.5 20.6 ¹³C (F1) 11.5 175.5 24.8 2D ¹⁵N/¹H HSQC ¹⁵N (F1)34 118.0 80 2D ¹⁵N/¹H TROSY ¹⁵N (F1) 34 117.5 50

The direct ¹H dimension (F3 or F2) was acquired with a sweep width of 14ppm and acquisition time of 90 or 60 ms.

All the spectra were processed using Topspin 2.1, with linear predictionused to extend the effective acquisition time in the ¹⁵N dimension of 3Ddata to about 30 ms. Mild resolution enhancement was applied in alldimensions using a shifted sine-squared function. Analysis of thespectra was carried out using Sparky (7).

Analysis of Fab′ Binding Data

The minimal shift approach (Farmer, B. T. et al., (1996) Nat Struct MolBiol 3(12), 995; Muskett, F. W. et al., (1998) J Biol Chem 273(34),21736-21743) was used to determine the changes in the positions ofIL-17A NMR signals resulting from the Fab′ fragment of '496 binding tohuman IL-17A. Initially, all peaks in the 2D ¹⁵N/¹H HSQC spectrum offree IL-17A and 2D ¹⁵N/¹H TROSY spectrum of IL-17A bound to the Fab′fragment of '496 were picked in their centres. The ¹⁵N and ¹H chemicalshift values of backbone resonances were corrected for the difference inthe 2D ¹⁵N/¹H TROSY and 2D ¹⁵N/¹H HSQC spectra of the complex and freeprotein (0.58 ppm for ¹⁵N and −0.06 ppm for ¹H). The minimum change inposition for peaks between free and Fab′-bound IL-17A was obtained byusing Microsoft Excel to calculate the combined chemical shiftdifference in ¹⁵N and ¹H for each assigned peak in the ¹⁵N/¹H HSQCspectrum of the free protein compared to all observed peaks in ¹⁵N/¹HTROSY spectrum of the Fab′ complex. The combined amide proton andnitrogen chemical shift differences (Δδ) were defined according to thefollowing equation (Equation 1), where Δδ_(HN) and Δδ_(N) correspond tothe differences in ¹H and ¹⁵N shifts between pairs of compared peaks andα_(N) is a scaling factor of 0.2 required to account for differences inthe range of amide proton, amide nitrogen and carbon chemical shifts.For each individual peak, the minimal shift induced by Fab′ binding wastaken as the lowest possible combined shift value (Δδ).Δδ=√{square root over ((Δδ_(HN))²+(Δδ_(N)·α_(N))²)}  (Equation 1)

To identify the Fab′ binding sites (epitopes) on IL-17A, a histogram ofcombined minimal shift versus protein sequence was used to revealregions of IL-17A containing significantly perturbed signals. If thesize of the combined chemical shift change for individual amino acidsexceeded a threshold value, these residues were selected for furtherevaluation as possible contact residues in the Fab′ binding site. Itwill be appreciated that these possible ‘contact’ residues may beinvolved in binding by direct or indirect (e.g. allosteric) interactionswith the Fab′. The threshold values were set as +1.5×SD of all theminimal shift data, the mean minimal shift +1 SD and the mean minimalshift +2 SD. The locations of candidate binding site residues werefinally examined on the high resolution structure of IL-17A and onlyresidues positioned on the protein surface were considered to beavailable for Fab′ binding.

Residues selected as possible ‘contact’ residues based on shifts>+1.5×SDof all the minimal shift data, solvent accessibility>25%:

SER41, TYR44, ASN45, ARG46, TRP51, ASN52, HIS54, ARG72, HIS73, ASP84,HIS86, VAL128, HIS129 and VAL131.

Residues selected as possible ‘contact’ residues based on shifts>themean+1 SD of all minimal shift data, solvent accessibility>25%:

SER41, TYR44, ASN45, TRP51, ASN52, HIS54, ARG72, HIS73 and ASP84.

Residues selected as possible ‘contact’ residues based on shifts>themean+2 SD of all minimal shift data, solvent accessibility>25%:

TYR44, ASN45, TRP51, ASN52 and ASP84.

The NMR technique described above was also used to identify the Fab′binding sites (epitopes) on IL-17F.

The threshold values were set as the mean minimal shift, the meanminimal shift +0.5 SD and the mean minimal shift +1 SD. The locations ofcandidate binding site residues were finally examined on the highresolution structure of IL-17F and only residues positioned on theprotein surface were considered to be available for Fab′ binding.

Residues selected as possible ‘contact’ residues based on shifts>mean ofall the minimal shift data, solvent accessibility>20%:

GLN12, LYS13, SER24, ISO32, ASN33 GLU34, ASN35, GLN36, VAL38, SER46,ASN53, TYR54, GLN69, ISO78, ASP85, SER87, MET88, ASM89, GLN94, LYS103and THR126.

Residues selected as possible ‘contact’ residues based on shifts>themean+0.5 SD of all minimal shift data, solvent accessibility>20%:

GLN12, SER24, ASN33, GLU34, GLN36, VAL38, ASN53, TYR54, ASP85, MET88,ASM89, and THR126.

Residues selected as possible ‘contact’ residues based on shifts>themean+1 SD of all minimal shift data, solvent accessibility>20%:

GLN12, SER24, ASN33, GLU34, ASP85 and MET88.

Example 6: Modelling of Antibody 496 Binding on IL-17F

The probable binding site for antibody 496 on human IL-17F wasdetermined by homology modelling and docking.

MODELLER (Sali, A. & Blundell, T. L., (1993) J. Mol. Biol. 234(3),779-815) was used to build a homology model of antibody 496, using thex-ray structure of antibody CA048_497 (antibody described inWO2008/001063). The overall sequence identity between the two antibodiesis 82%. At such high similarity level, the homology modelling process iswell understood by anyone who is skilled in the art.

The homology model of antibody 496 was then docked to the x-raystructure of IL17A/F heterodimer using RosettaDock (Gray, J. J., et.al., (2003) J. Mol. Biol., 331(1), 281-299) in order to build a 3D modelof the complex. A global unrestricted docking process was carried out togenerate 10,000 decoys (i.e., potential docking solutions). The top 10decoys with lowest energy scores, according to RosettaDock, wereselected for perturbation study to probe the energy landscape aroundeach docking solution. The perturbation studies were again carried outusing RosettaDock. Decoys that had funnel-like energy landscape werepromoted as potential candidates.

The potential candidates were then screened against proximity toresidues ASP80, GLY81 and ASN82 of the IL17A subunit and to residuesGLN81, GLY82 and LYS83 of the IL17F subunit. Candidates that hadantibody 496 located within 4 angstroms from any of such residues werediscarded. Note that residues ASP80, GLY81 and ASN82 of IL17A, which arestructurally equivalent to residues GLN81, GLY82 and LYS83 of IL17F,were not identified as possible contact residues by the minimal shiftdata as shown in Example 5, but were identified as possible contactresidues when the binding of antibody CA048_497 and IL17A was studiedusing the same technique (data not shown).

The remaining candidates were then screened for proximity to IL17Fresidues ARG42, GLU45, SER46, ARG47, TRP52, ASN53, THR55, ARG73, ASN74,LEU75, ASP85 and SER87 (“IL17F-496 Key Residues”), which arestructurally equivalent to the possible IL17A contact residues specifiedin Example 5. Note that the residues that are structurally equivalent toVAL128, HIS129 and VAL131 of IL17A are not present in the x-raystructure IL17F and thus ignored. The candidate with the lowest sum ofdistances between “IL17F-496 Key Residues” and antibody 496 was selectedas the final docking solution.

The proximity screening protocols were carried out using PyMol (DeLano,W. L. The PyMOL Molecular Graphics System (2002) on World Wide Webhttp://www.pymol.org). According to the final docking solution, antibody496 is expected to bind IL-17F at one or more of the following residues:SER39, MET40, SER41, ARG42, ARG47, ASN53, CYS72, ARG73, ASN74, LEU75,LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90, VAL91, PRO92,GLN94, THR119, CYS122, VAL125, THR126, PRO127, VAL128.

Antibody 496 is expected to bind within one or more of the followingregions, comprising amino acid residues:

39-42 (SER39, MET40, SER41, ARG42) SEQ ID NO: 8

47 (ARG47)

53 (ASN53)

72-75 (CYS72, ARG73, ASN74, LEU75) SEQ ID NO: 10

83-92 (LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, SER90, VAL91,PRO92) SEQ ID NO: 12

94 (GLN94)

119 (THR119)

122 (CYS122)

125-128 (VAL125, THR126, PRO127, VAL128) SEQ ID NO: 13.

Note that CYS72, SER90, THR119, CYS122 and VAL125 are less than 25%solvent accessible, according to the x-ray structure of IL17F, thus maynot directly interact with antibody 496. These residues, however, arelikely to support surrounding residues that are making direct contactswith antibody 496.

Therefore antibody 496 is expected to bind IL-17F at one or more of thefollowing residues: SER39, MET40, SER41, ARG42, ARG47, ASN53, ARG73,ASN74, LEU75, LYS83, GLU84, ASP85, ILE86, SER87, MET88, ASN89, VAL91,PRO92, GLN94, THR126, PRO127, VAL128.

Example 7

The interaction between 496 and IL-17f was studied by x-raycrystallography.

Crystallisation, Structure Determination and Refinement of the crystalstructure of Human IL17f complexed with 496 Fab

Crystallisation

The human IL17f/496 Fab complex crystallized as pyramids from hangingdrops through the vapour phase at 18.5° C. against a reservoir of 500 μlsolution containing 0.85M ammonium sulfate, 0.2M sodium potassiumtartrate and 0.05M Tris buffer pH 6.9 for 1-2 weeks in Hampton ResearchVDXm plates. The drops contained 1 μl of protein at 10 mg/ml in 20 mMHepes pH 7.4, 50 mM NaCl, 0.02% azide, and 1 μl reservoir solution. Thecrystals belong to the space group H32 with cell dimensions a=b=189.4;c=490.9, and three molecules of the IL17f/496 Fab in the asymmetricunit.

X-Ray Diffraction Collection

We collected the x-ray diffraction data through a single IL17f/496 Fabcrystal suspended in a litho loop and flash frozen under liquidnitrogen, after briefly passing the crystal through a cryoprotectantsolution containing 1.3M ammonium sulphate, 0.2M sodium potassiumtartrate and Tris buffer pH 6.9 and 30% glycerol. The diffraction datawas collected on an ADSC Quantum 4 charge coupled device at the 103beamline station at the Diamond synchrotron, Didcot, Oxfordshire, UK.The wavelength of the monochromatic x-ray beam was 0.9796 Å. Thereciprocal space was sampled at 1.0° oscillation steps around the φgoniostat axis. The data were processed with Mosflm (Leslie, A G W,Joint CCP4+ESF-EAMCB Newsletter on Protein Crystallography, No. 26;CCP4, Collaborative Computational Project, Number 4. Acta Cryst. D50,760-763 (1994)).

Structure Determination

The crystal structure of human IL17f/496 Fab complex was determined intwo steps. First the Fab position was located with the molecularreplacement program Phaser (Read, R J, Acta Cryst. D57, 1373-1382(2001)), using the Fab with the PDB code 1L7I stripped of watermolecules. The cross rotation and translation functions were carried outat 4.0 Å resolution and default settings. Three molecules of Fab werelocated. The searches after translation translation yielded a solutionwith a high R-factor of after rigid body refinement in CNX (Brunger, Aet al, Science, 235, 458-460 (1997)). Although electron density forIL17f was visible in 2Fo-Fc electron density maps, a molecularreplacement solution for IL17f, using IL17f (PDB code 1JPY) was notfound. Instead a structure of an IL17a dimer was used to locate thismolecule. A solution was found that corresponded to its location along a2-fold axis. After selecting one half of the IL17a, and overlayingIL17f, a new search model was created that contained one Fab and onehalf of an IL17f dimer, with resides at the N-terminus removed thatcaused symmetry clashes. This search model was used to define the finalmolecular replacement solution for this half-complex.

Model Building and Refinement

The 496 Fab/IL17f structure was built from the rotation and translationoperations found by molecular replacement. Using 2Fo-Fc and Fo-Fcelectron density maps, residues in the Fab model were changed to reflectthe sequence in the 496 Fab. According to these maps, one can establishthe 496 Fab rough model by altering side chain conformations, replacingamino acids present in the model structure by those in the 496 Fab aswell as by adding or deleting residues. Adjustments in residue conformerorientations were made for IL17f. We used the interactive computerprogram O (Jones, T A et al., Acta Cryst. A47, 110-119 (1991)) toperform these manipulations.

This rough model was subjected to rounds of simulated annealing,positional and B-factor refinement using CNX, followed by manualintervention. The refinement and manual rebuilding was monitored by thequality of the 2Fo-Fc and Fo-Fc electron density maps as well as thevalue of the crystallographic R and R-free value. The resolution usedthrough the refinement was increased gradually from 4.0 A to 3.2 Å asthe refinement proceeded, with a bulk solvent correction usedthroughout. The model of IL17f/496 Fab complex encompasses residues 15to 133 of IL17f (see SEQ ID NO. 22), residues 1 to 214 of the lightchain of 496 Fab (SEQ ID NO 11) and residues 1 to 227 of the heavy chainof 496 Fab (SEQ ID NO 15). The R-factor of the model is 0.243, andR-free is 0.288 for 56128 reflections. The rms deviation from standardgeometry (Engh, R et al., Acta Cryst., A47, 392-400 (1991)) is 0.009 Åfor bond lengths and 1.48° for bond angles.

The Epitope

The interaction between 496 and IL-17f (which is a covalent homodimer)studied by x-ray crystallography was of a complex of 496 Fab fragmentsincubated with human IL-17f. The structure reveals the major contactsites between 496 Fab and IL-17f, and were identified as clusteredmainly at the CDR loops of the antibody and along part of the length ofIL-17f, interacting with both chains of IL-17f. According to thenumbering sequence shown in SEQ ID NO. 22 for the mature IL-17f protein,i.e., the IL-17f protein from which the signal peptide has been cleaved,the residues which interact most closely with the CDR region of 496 Fabwithin 3.0 A, are Gln71, Cys72, Ile86, Asn89, Ser90 and Val128 from thefirst chain, and Arg47 from the second chain. Major residues of IL-17fthat contact 496 Fab within 3.5 A are Gln71, Cys72, Asn74, Leu75, Ile86,Asn89, Ser90, Pro92, Val128, His131 and Gln133 from the first chain, andArg37, Ser39, Ser41 and Arg47 from the second chain. Residues thatcontact 496 Fab within 4.0 A are Gln71, Cys72, Arg73, Asn74, Leu75,Ile86, Ser87 Asn89, Ser90, Val91, Pro92, Val128, His131 and Gln133 fromthe first chain, and Asn33, Gln36, Arg37, Ser39, Ser41, Arg42, Ile44 andArg47 from the second chain. These residues define the epitope of the496 antibody.

TABLE 1 The atomic coordinates of IL17F in complex with 496 Fab (H32; a= 189.4; b = 189.4; c = 490.9, α, β = 90°; γ = 120°) ATOM 1 CB ALA A 164.135 −69.931 −35.658 1.00 101.85 MOL1 C ATOM 2 C ALA A 1 63.428−68.932 −37.846 1.00 100.38 MOL1 C ATOM 3 O ALA A 1 63.710 −68.947−39.048 1.00 103.91 MOL1 O ATOM 4 N ALA A 1 64.812 −67.616 −36.255 1.0097.55 MOL1 N ATOM 5 CA ALA A 1 64.533 −68.979 −36.793 1.00 100.78 MOL1 CATOM 6 N ILE A 2 62.175 −68.869 −37.394 1.00 93.65 MOL1 N ATOM 7 CA ILEA 2 61.034 −68.831 −38.303 1.00 84.13 MOL1 C ATOM 8 CB ILE A 2 59.767−68.352 −37.603 1.00 84.62 MOL1 C ATOM 9 CG2 ILE A 2 58.563 −68.791−38.396 1.00 85.22 MOL1 C ATOM 10 CG1 ILE A 2 59.667 −68.961 −36.2101.00 89.64 MOL1 C ATOM 11 CD1 ILE A 2 59.427 −70.445 −36.220 1.00 98.49MOL1 C ATOM 12 C ILE A 2 61.326 −67.860 −39.422 1.00 77.53 MOL1 C ATOM13 O ILE A 2 61.538 −66.687 −39.176 1.00 75.73 MOL1 O ATOM 14 N GLN A 361.335 −68.350 −40.650 1.00 76.57 MOL1 N ATOM 15 CA GLN A 3 61.622−67.506 −41.795 1.00 82.12 MOL1 C ATOM 16 CB GLN A 3 62.718 −68.157−42.649 1.00 92.76 MOL1 C ATOM 17 CG GLN A 3 64.019 −68.483 −41.902 1.00101.08 MOL1 C ATOM 18 CD GLN A 3 65.144 −67.494 −42.192 1.00 106.71 MOL1C ATOM 19 OE1 GLN A 3 65.504 −67.266 −43.353 1.00 109.71 MOL1 O ATOM 20NE2 GLN A 3 65.711 −66.911 −41.138 1.00 104.54 MOL1 N ATOM 21 C GLN A 360.369 −67.277 −42.642 1.00 81.94 MOL1 C ATOM 22 O GLN A 3 59.813−68.215 −43.222 1.00 85.46 MOL1 O ATOM 23 N LEU A 4 59.929 −66.027−42.718 1.00 77.54 MOL1 N ATOM 24 CA LEU A 4 58.748 −65.707 −43.498 1.0076.02 MOL1 C ATOM 25 CB LEU A 4 57.995 −64.531 −42.867 1.00 77.03 MOL1 CATOM 26 CG LEU A 4 57.134 −64.833 −41.631 1.00 77.01 MOL1 C ATOM 27 CD1LEU A 4 58.004 −65.184 −40.445 1.00 72.40 MOL1 C ATOM 28 CD2 LEU A 456.279 −63.620 −41.307 1.00 75.95 MOL1 C ATOM 29 C LEU A 4 59.123−65.402 −44.944 1.00 76.62 MOL1 C ATOM 30 O LEU A 4 60.057 −64.649−45.220 1.00 78.44 MOL1 O ATOM 31 N THR A 5 58.379 −65.986 −45.872 1.0076.08 MOL1 N ATOM 32 CA THR A 5 58.668 −65.805 −47.281 1.00 77.89 MOL1 CATOM 33 CB THR A 5 59.111 −67.158 −47.884 1.00 86.00 MOL1 C ATOM 34 OG1THR A 5 60.135 −67.731 −47.054 1.00 85.74 MOL1 O ATOM 35 CG2 THR A 559.642 −66.978 −49.307 1.00 86.71 MOL1 C ATOM 36 C THR A 5 57.485−65.246 −48.068 1.00 74.23 MOL1 C ATOM 37 O THR A 5 56.634 −65.998−48.559 1.00 76.11 MOL1 O ATOM 38 N GLN A 6 57.434 −63.926 −48.191 1.0067.23 MOL1 N ATOM 39 CA GLN A 6 56.353 −63.292 −48.928 1.00 66.03 MOL1 CATOM 40 CB GLN A 6 56.383 −61.786 −48.732 1.00 60.93 MOL1 C ATOM 41 CGGLN A 6 56.267 −61.364 −47.295 1.00 59.07 MOL1 C ATOM 42 CD GLN A 655.893 −59.916 −47.174 1.00 60.94 MOL1 C ATOM 43 OE1 GLN A 6 55.813−59.381 −46.076 1.00 66.71 MOL1 O ATOM 44 NE2 GLN A 6 55.651 −59.269−48.309 1.00 54.84 MOL1 N ATOM 45 C GLN A 6 56.500 −63.599 −50.398 1.0067.13 MOL1 C ATOM 46 O GLN A 6 57.566 −64.008 −50.840 1.00 69.36 MOL1 OATOM 47 N SER A 7 55.430 −63.396 −51.156 1.00 69.44 MOL1 N ATOM 48 CASER A 7 55.450 −63.654 −52.591 1.00 72.19 MOL1 C ATOM 49 CB SER A 755.687 −65.142 −52.863 1.00 75.98 MOL1 C ATOM 50 OG SER A 7 54.856−65.954 −52.047 1.00 81.94 MOL1 O ATOM 51 C SER A 7 54.147 −63.217−53.228 1.00 72.06 MOL1 C ATOM 52 O SER A 7 53.071 −63.493 −52.707 1.0078.33 MOL1 O ATOM 53 N PRO A 8 54.227 −62.516 −54.361 1.00 69.31 MOL1 NATOM 54 CD PRO A 8 53.099 −62.002 −55.147 1.00 73.31 MOL1 C ATOM 55 CAPRO A 8 55.483 −62.155 −55.002 1.00 70.91 MOL1 C ATOM 56 CB PRO A 855.025 −61.554 −56.323 1.00 72.80 MOL1 C ATOM 57 CG PRO A 8 53.757−60.910 −55.950 1.00 72.88 MOL1 C ATOM 58 C PRO A 8 56.259 −61.164−54.164 1.00 69.23 MOL1 C ATOM 59 O PRO A 8 55.781 −60.717 −53.132 1.0070.34 MOL1 O ATOM 60 N SER A 9 57.467 −60.838 −54.601 1.00 69.17 MOL1 NATOM 61 CA SER A 9 58.273 −59.881 −53.879 1.00 66.93 MOL1 C ATOM 62 CBSER A 9 59.749 −60.210 −54.018 1.00 73.37 MOL1 C ATOM 63 OG SER A 960.038 −61.381 −53.269 1.00 83.72 MOL1 O ATOM 64 C SER A 9 57.951−58.524 −54.453 1.00 63.36 MOL1 C ATOM 65 O SER A 9 58.048 −57.512−53.777 1.00 67.00 MOL1 O ATOM 66 N SER A 10 57.544 −58.512 −55.708 1.0057.29 MOL1 N ATOM 67 CA SER A 10 57.151 −57.276 −56.358 1.00 55.01 MOL1C ATOM 68 CB SER A 10 58.253 −56.771 −57.294 1.00 57.78 MOL1 C ATOM 69OG SER A 10 57.805 −55.674 −58.082 1.00 62.00 MOL1 O ATOM 70 C SER A 1055.911 −57.621 −57.159 1.00 55.31 MOL1 C ATOM 71 O SER A 10 55.526−58.787 −57.245 1.00 56.46 MOL1 O ATOM 72 N LEU A 11 55.281 −56.613−57.742 1.00 53.75 MOL1 N ATOM 73 CA LEU A 11 54.098 −56.851 −58.5481.00 50.55 MOL1 C ATOM 74 CB LEU A 11 53.090 −57.669 −57.754 1.00 43.48MOL1 C ATOM 75 CG LEU A 11 51.993 −56.877 −57.070 1.00 44.84 MOL1 C ATOM76 CD1 LEU A 11 50.917 −56.523 −58.096 1.00 49.00 MOL1 C ATOM 77 CD2 LEUA 11 51.412 −57.704 −55.952 1.00 42.51 MOL1 C ATOM 78 C LEU A 11 53.478−55.536 −59.002 1.00 50.49 MOL1 C ATOM 79 O LEU A 11 53.350 −54.595−58.225 1.00 44.62 MOL1 O ATOM 80 N SER A 12 53.111 −55.471 −60.275 1.0056.63 MOL1 N ATOM 81 CA SER A 12 52.491 −54.273 −60.825 1.00 62.24 MOL1C ATOM 82 CB SER A 12 53.076 −53.922 −62.199 1.00 63.67 MOL1 C ATOM 83OG SER A 12 54.373 −53.355 −62.082 1.00 74.97 MOL1 O ATOM 84 C SER A 1251.001 −54.519 −60.960 1.00 62.36 MOL1 C ATOM 85 O SER A 12 50.573−55.593 −61.383 1.00 66.42 MOL1 O ATOM 86 N ALA A 13 50.216 −53.517−60.593 1.00 60.34 MOL1 N ATOM 87 CA ALA A 13 48.768 −53.613 −60.6541.00 56.37 MOL1 C ATOM 88 CB ALA A 13 48.232 −54.119 −59.330 1.00 52.68MOL1 C ATOM 89 C ALA A 13 48.196 −52.241 −60.964 1.00 57.76 MOL1 C ATOM90 O ALA A 13 48.927 −51.236 −60.931 1.00 56.32 MOL1 O ATOM 91 N SER A14 46.895 −52.204 −61.263 1.00 56.07 MOL1 N ATOM 92 CA SER A 14 46.202−50.957 −61.594 1.00 58.55 MOL1 C ATOM 93 CB SER A 14 45.601 −51.052−62.987 1.00 58.96 MOL1 C ATOM 94 OG SER A 14 46.285 −52.023 −63.7591.00 71.46 MOL1 O ATOM 95 C SER A 14 45.089 −50.686 −60.596 1.00 55.27MOL1 C ATOM 96 O SER A 14 44.547 −51.621 −60.008 1.00 53.63 MOL1 O ATOM97 N VAL A 15 44.748 −49.411 −60.407 1.00 52.20 MOL1 N ATOM 98 CA VAL A15 43.687 −49.047 −59.472 1.00 45.77 MOL1 C ATOM 99 CB VAL A 15 43.201−47.592 −59.665 1.00 37.82 MOL1 C ATOM 100 CG1 VAL A 15 42.027 −47.348−58.802 1.00 32.20 MOL1 C ATOM 101 CG2 VAL A 15 44.273 −46.607 −59.3051.00 34.78 MOL1 C ATOM 102 C VAL A 15 42.489 −49.966 −59.685 1.00 48.79MOL1 C ATOM 103 O VAL A 15 42.048 −50.197 −60.819 1.00 49.28 MOL1 O ATOM104 N GLY A 16 41.973 −50.504 −58.592 1.00 45.79 MOL1 N ATOM 105 CA GLYA 16 40.830 −51.373 −58.703 1.00 52.21 MOL1 C ATOM 106 C GLY A 16 41.181−52.836 −58.601 1.00 56.48 MOL1 C ATOM 107 O GLY A 16 40.444 −53.606−57.979 1.00 63.88 MOL1 O ATOM 108 N ASP A 17 42.290 −53.233 −59.2151.00 55.01 MOL1 N ATOM 109 CA ASP A 17 42.716 −54.635 −59.164 1.00 58.91MOL1 C ATOM 110 CB ASP A 17 44.180 −54.760 −59.601 1.00 65.37 MOL1 CATOM 111 CG ASP A 17 44.367 −54.622 −61.100 1.00 70.44 MOL1 C ATOM 112OD1 ASP A 17 45.147 −53.733 −61.531 1.00 59.18 MOL1 O ATOM 113 OD2 ASP A17 43.742 −55.421 −61.836 1.00 74.78 MOL1 O ATOM 114 C ASP A 17 42.575−55.254 −57.761 1.00 54.18 MOL1 C ATOM 115 O ASP A 17 42.559 −54.547−56.761 1.00 55.66 MOL1 O ATOM 116 N ARG A 18 42.462 −56.571 −57.6931.00 48.09 MOL1 N ATOM 117 CA ARG A 18 42.366 −57.231 −56.411 1.00 55.61MOL1 C ATOM 118 CB ARG A 18 41.284 −58.316 −56.404 1.00 69.85 MOL1 CATOM 119 CG ARG A 18 41.140 −59.019 −55.033 1.00 84.25 MOL1 C ATOM 120CD ARG A 18 40.007 −60.048 −54.994 1.00 96.26 MOL1 C ATOM 121 NE ARG A18 40.377 −61.322 −55.613 1.00 111.22 MOL1 N ATOM 122 CZ ARG A 18 40.792−62.397 −54.941 1.00 117.53 MOL1 C ATOM 123 NH1 ARG A 18 40.889 −62.360−53.615 1.00 117.33 MOL1 N ATOM 124 NH2 ARG A 18 41.110 −63.514 −55.5961.00 116.29 MOL1 N ATOM 125 C ARG A 18 43.710 −57.871 −56.135 1.00 58.76MOL1 C ATOM 126 O ARG A 18 43.918 −59.053 −56.418 1.00 65.72 MOL1 O ATOM127 N VAL A 19 44.628 −57.086 −55.588 1.00 56.07 MOL1 N ATOM 128 CA VALA 19 45.966 −57.576 −55.268 1.00 53.63 MOL1 C ATOM 129 CB VAL A 1946.908 −56.394 −54.920 1.00 55.93 MOL1 C ATOM 130 CG1 VAL A 19 48.281−56.927 −54.521 1.00 55.97 MOL1 C ATOM 131 CG2 VAL A 19 47.004 −55.420−56.108 1.00 42.74 MOL1 C ATOM 132 C VAL A 19 45.964 −58.593 −54.1121.00 51.70 MOL1 C ATOM 133 O VAL A 19 45.146 −58.511 −53.190 1.00 49.50MOL1 O ATOM 134 N THR A 20 46.885 −59.549 −54.172 1.00 49.46 MOL1 N ATOM135 CA THR A 20 46.983 −60.583 −53.149 1.00 54.36 MOL1 C ATOM 136 CB THRA 20 46.232 −61.841 −53.579 1.00 58.85 MOL1 C ATOM 137 OG1 THR A 2044.838 −61.542 −53.667 1.00 70.14 MOL1 O ATOM 138 CG2 THR A 20 46.450−62.967 −52.576 1.00 59.96 MOL1 C ATOM 139 C THR A 20 48.427 −60.973−52.863 1.00 53.08 MOL1 C ATOM 140 O THR A 20 49.137 −61.449 −53.7361.00 55.72 MOL1 O ATOM 141 N ILE A 21 48.849 −60.783 −51.626 1.00 49.50MOL1 N ATOM 142 CA ILE A 21 50.201 −61.088 −51.217 1.00 41.41 MOL1 CATOM 143 CB ILE A 21 50.802 −59.884 −50.503 1.00 38.15 MOL1 C ATOM 144CG2 ILE A 21 52.083 −60.247 −49.827 1.00 34.27 MOL1 C ATOM 145 CG1 ILE A21 51.001 −58.760 −51.510 1.00 38.51 MOL1 C ATOM 146 CD1 ILE A 21 51.246−57.416 −50.864 1.00 49.11 MOL1 C ATOM 147 C ILE A 21 50.140 −62.268−50.285 1.00 44.55 MOL1 C ATOM 148 O ILE A 21 49.183 −62.428 −49.5501.00 52.97 MOL1 O ATOM 149 N THR A 22 51.169 −63.095 −50.310 1.00 48.57MOL1 N ATOM 150 CA THR A 22 51.210 −64.278 −49.467 1.00 52.07 MOL1 CATOM 151 CB THR A 22 51.296 −65.552 −50.308 1.00 55.40 MOL1 C ATOM 152OG1 THR A 22 50.290 −65.514 −51.325 1.00 62.21 MOL1 O ATOM 153 CG2 THR A22 51.090 −66.788 −49.435 1.00 58.38 MOL1 C ATOM 154 C THR A 22 52.435−64.240 −48.597 1.00 51.61 MOL1 C ATOM 155 O THR A 22 53.390 −63.554−48.912 1.00 50.06 MOL1 O ATOM 156 N CYS A 23 52.420 −65.001 −47.5121.00 56.21 MOL1 N ATOM 157 CA CYS A 23 53.560 −65.048 −46.609 1.00 62.68MOL1 C ATOM 158 C CYS A 23 53.660 −66.404 −45.926 1.00 68.74 MOL1 C ATOM159 O CYS A 23 53.256 −66.566 −44.778 1.00 68.17 MOL1 O ATOM 160 CB CYSA 23 53.441 −63.935 −45.571 1.00 65.09 MOL1 C ATOM 161 SG CYS A 2354.612 −63.909 −44.165 1.00 70.81 MOL1 S ATOM 162 N ARG A 24 54.201−67.377 −46.652 1.00 77.18 MOL1 N ATOM 163 CA ARG A 24 54.379 −68.736−46.147 1.00 84.44 MOL1 C ATOM 164 CB ARG A 24 54.742 −69.656 −47.3321.00 95.87 MOL1 C ATOM 165 CG ARG A 24 54.432 −71.160 −47.168 1.00108.89 MOL1 C ATOM 166 CD ARG A 24 55.506 −71.938 −46.383 1.00 119.33MOL1 C ATOM 167 NE ARG A 24 55.120 −73.333 −46.140 1.00 124.33 MOL1 NATOM 168 CZ ARG A 24 55.845 −74.215 −45.452 1.00 127.65 MOL1 C ATOM 169NH1 ARG A 24 57.012 −73.863 −44.927 1.00 129.22 MOL1 N ATOM 170 NH2 ARGA 24 55.397 −75.454 −45.277 1.00 127.95 MOL1 N ATOM 171 C ARG A 2455.511 −68.687 −45.111 1.00 84.04 MOL1 C ATOM 172 O ARG A 24 56.466−67.926 −45.271 1.00 84.20 MOL1 O ATOM 173 N ALA A 25 55.416 −69.484−44.051 1.00 83.87 MOL1 N ATOM 174 CA ALA A 25 56.461 −69.462 −43.0311.00 88.97 MOL1 C ATOM 175 CB ALA A 25 55.987 −68.685 −41.807 1.00 83.58MOL1 C ATOM 176 C ALA A 25 57.012 −70.808 −42.583 1.00 93.69 MOL1 C ATOM177 O ALA A 25 56.280 −71.784 −42.408 1.00 93.21 MOL1 O ATOM 178 N ASP A26 58.327 −70.813 −42.395 1.00 98.19 MOL1 N ATOM 179 CA ASP A 26 59.114−71.947 −41.937 1.00 101.85 MOL1 C ATOM 180 CB ASP A 26 60.324 −71.372−41.202 1.00 110.27 MOL1 C ATOM 181 CG ASP A 26 61.348 −72.408 −40.8541.00 121.51 MOL1 C ATOM 182 OD1 ASP A 26 62.404 −72.014 −40.315 1.00124.97 MOL1 O ATOM 183 OD2 ASP A 26 61.102 −73.607 −41.114 1.00 133.17MOL1 O ATOM 184 C ASP A 26 58.330 −72.912 −41.031 1.00 101.21 MOL1 CATOM 185 O ASP A 26 57.944 −74.006 −41.455 1.00 100.34 MOL1 O ATOM 186 NGLU A 27 58.111 −72.498 −39.786 1.00 100.36 MOL1 N ATOM 187 CA GLU A 2757.378 −73.295 −38.808 1.00 105.27 MOL1 C ATOM 188 CB GLU A 27 58.046−73.174 −37.434 1.00 114.82 MOL1 C ATOM 189 CG GLU A 27 59.493 −73.679−37.373 1.00 130.16 MOL1 C ATOM 190 CD GLU A 27 59.608 −75.187 −37.1331.00 139.75 MOL1 C ATOM 191 OE1 GLU A 27 59.170 −75.660 −36.058 1.00142.50 MOL1 O ATOM 192 OE2 GLU A 27 60.144 −75.898 −38.017 1.00 142.27MOL1 O ATOM 193 C GLU A 27 55.920 −72.825 −38.719 1.00 103.78 MOL1 CATOM 194 O GLU A 27 55.398 −72.228 −39.663 1.00 105.79 MOL1 O ATOM 195 NSER A 28 55.270 −73.097 −37.587 1.00 98.98 MOL1 N ATOM 196 CA SER A 2853.876 −72.706 −37.377 1.00 93.29 MOL1 C ATOM 197 CB SER A 28 53.077−73.882 −36.796 1.00 94.85 MOL1 C ATOM 198 OG SER A 28 51.722 −73.537−36.538 1.00 86.40 MOL1 O ATOM 199 C SER A 28 53.804 −71.523 −36.4261.00 89.30 MOL1 C ATOM 200 O SER A 28 54.496 −71.499 −35.418 1.00 88.29MOL1 O ATOM 201 N VAL A 29 52.960 −70.548 −36.742 1.00 85.47 MOL1 N ATOM202 CA VAL A 29 52.824 −69.375 −35.895 1.00 80.22 MOL1 C ATOM 203 CB VALA 29 53.247 −68.131 −36.651 1.00 79.07 MOL1 C ATOM 204 CG1 VAL A 2954.746 −67.943 −36.514 1.00 74.72 MOL1 C ATOM 205 CG2 VAL A 29 52.870−68.278 −38.111 1.00 74.69 MOL1 C ATOM 206 C VAL A 29 51.433 −69.174−35.317 1.00 79.76 MOL1 C ATOM 207 O VAL A 29 51.265 −68.406 −34.3771.00 81.49 MOL1 O ATOM 208 N THR A 30 50.441 −69.854 −35.886 1.00 78.92MOL1 N ATOM 209 CA THR A 30 49.066 −69.788 −35.395 1.00 76.47 MOL1 CATOM 210 CB THR A 30 48.880 −70.697 −34.149 1.00 81.34 MOL1 C ATOM 211OG1 THR A 30 49.772 −70.277 −33.101 1.00 70.40 MOL1 O ATOM 212 CG2 THR A30 49.159 −72.154 −34.501 1.00 88.52 MOL1 C ATOM 213 C THR A 30 48.560−68.414 −34.995 1.00 72.85 MOL1 C ATOM 214 O THR A 30 48.860 −67.931−33.910 1.00 77.37 MOL1 O ATOM 215 N THR A 31 47.780 −67.792 −35.8591.00 65.58 MOL1 N ATOM 216 CA THR A 31 47.204 −66.490 −35.554 1.00 65.07MOL1 C ATOM 217 CB THR A 31 46.132 −66.605 −34.447 1.00 62.31 MOL1 CATOM 218 OG1 THR A 31 46.758 −66.543 −33.161 1.00 62.48 MOL1 O ATOM 219CG2 THR A 31 45.375 −67.912 −34.576 1.00 59.69 MOL1 C ATOM 220 C THR A31 48.144 −65.340 −35.168 1.00 63.64 MOL1 C ATOM 221 O THR A 31 47.730−64.175 −35.226 1.00 69.01 MOL1 O ATOM 222 N LEU A 32 49.386 −65.628−34.773 1.00 53.42 MOL1 N ATOM 223 CA LEU A 32 50.282 −64.535 −34.4091.00 46.42 MOL1 C ATOM 224 CB LEU A 32 51.263 −64.942 −33.314 1.00 39.87MOL1 C ATOM 225 CG LEU A 32 50.570 −65.258 −31.986 1.00 46.68 MOL1 CATOM 226 CD1 LEU A 32 51.221 −64.518 −30.820 1.00 43.33 MOL1 C ATOM 227CD2 LEU A 32 49.117 −64.863 −32.109 1.00 44.87 MOL1 C ATOM 228 C LEU A32 51.040 −63.975 −35.598 1.00 46.61 MOL1 C ATOM 229 O LEU A 32 52.238−63.738 −35.533 1.00 52.07 MOL1 O ATOM 230 N MET A 33 50.322 −63.762−36.690 1.00 43.06 MOL1 N ATOM 231 CA MET A 33 50.889 −63.191 −37.8891.00 41.75 MOL1 C ATOM 232 CB MET A 33 50.483 −64.018 −39.096 1.00 41.68MOL1 C ATOM 233 CG MET A 33 51.029 −63.483 −40.389 1.00 51.79 MOL1 CATOM 234 SD MET A 33 52.828 −63.453 −40.386 1.00 67.13 MOL1 S ATOM 235CE MET A 33 53.193 −64.771 −41.526 1.00 56.01 MOL1 C ATOM 236 C MET A 3350.293 −61.789 −37.983 1.00 43.97 MOL1 C ATOM 237 O MET A 33 49.131−61.584 −37.651 1.00 45.70 MOL1 O ATOM 238 N HIS A 34 51.082 −60.819−38.426 1.00 43.67 MOL1 N ATOM 239 CA HIS A 34 50.606 −59.449 −38.5301.00 39.94 MOL1 C ATOM 240 CB HIS A 34 51.145 −58.649 −37.367 1.00 35.91MOL1 C ATOM 241 CG HIS A 34 51.087 −59.377 −36.065 1.00 40.27 MOL1 CATOM 242 CD2 HIS A 34 52.053 −59.680 −35.168 1.00 41.79 MOL1 C ATOM 243ND1 HIS A 34 49.913 −59.870 −35.542 1.00 44.64 MOL1 N ATOM 244 CE1 HIS A34 50.158 −60.439 −34.376 1.00 42.55 MOL1 C ATOM 245 NE2 HIS A 34 51.449−60.337 −34.126 1.00 40.07 MOL1 N ATOM 246 C HIS A 34 51.081 −58.825−39.825 1.00 45.33 MOL1 C ATOM 247 O HIS A 34 51.997 −59.330 −40.4471.00 56.68 MOL1 O ATOM 248 N TRP A 35 50.468 −57.728 −40.243 1.00 46.73MOL1 N ATOM 249 CA TRP A 35 50.897 −57.072 −41.468 1.00 41.10 MOL1 CATOM 250 CB TRP A 35 49.885 −57.289 −42.575 1.00 44.24 MOL1 C ATOM 251CG TRP A 35 49.856 −58.687 −43.087 1.00 47.88 MOL1 C ATOM 252 CD2 TRP A35 50.552 −59.193 −44.232 1.00 49.52 MOL1 C ATOM 253 CE2 TRP A 35 50.216−60.552 −44.354 1.00 49.33 MOL1 C ATOM 254 CE3 TRP A 35 51.430 −58.628−45.162 1.00 49.53 MOL1 C ATOM 255 CD1 TRP A 35 49.156 −59.729 −42.5741.00 44.24 MOL1 C ATOM 256 NE1 TRP A 35 49.360 −60.855 −43.329 1.0047.22 MOL1 N ATOM 257 CZ2 TRP A 35 50.723 −61.358 −45.370 1.00 50.90MOL1 C ATOM 258 CZ3 TRP A 35 51.935 −59.428 −46.168 1.00 52.17 MOL1 CATOM 259 CH2 TRP A 35 51.580 −60.781 −46.265 1.00 52.09 MOL1 C ATOM 260C TRP A 35 51.106 −55.592 −41.280 1.00 39.10 MOL1 C ATOM 261 O TRP A 3550.346 −54.931 −40.592 1.00 44.85 MOL1 O ATOM 262 N TYR A 36 52.154−55.076 −41.896 1.00 37.01 MOL1 N ATOM 263 CA TYR A 36 52.477 −53.659−41.818 1.00 34.30 MOL1 C ATOM 264 CB TYR A 36 53.802 −53.452 −41.0961.00 26.67 MOL1 C ATOM 265 CG TYR A 36 53.852 −53.935 −39.675 1.00 29.74MOL1 C ATOM 266 CD1 TYR A 36 53.482 −53.108 −38.630 1.00 32.47 MOL1 CATOM 267 CE1 TYR A 36 53.565 −53.530 −37.315 1.00 33.73 MOL1 C ATOM 268CD2 TYR A 36 54.304 −55.210 −39.372 1.00 32.94 MOL1 C ATOM 269 CE2 TYR A36 54.390 −55.651 −38.063 1.00 32.23 MOL1 C ATOM 270 CZ TYR A 36 54.020−54.805 −37.034 1.00 39.55 MOL1 C ATOM 271 OH TYR A 36 54.109 −55.225−35.718 1.00 39.71 MOL1 O ATOM 272 C TYR A 36 52.635 −53.128 −43.2341.00 34.60 MOL1 C ATOM 273 O TYR A 36 52.911 −53.882 −44.161 1.00 39.81MOL1 O ATOM 274 N GLN A 37 52.464 −51.829 −43.409 1.00 31.56 MOL1 N ATOM275 CA GLN A 37 52.653 −51.253 −44.722 1.00 30.34 MOL1 C ATOM 276 CB GLNA 37 51.352 −50.726 −45.293 1.00 23.81 MOL1 C ATOM 277 CG GLN A 3751.246 −49.247 −45.228 1.00 22.13 MOL1 C ATOM 278 CD GLN A 37 50.323−48.707 −46.279 1.00 32.73 MOL1 C ATOM 279 OE1 GLN A 37 49.891 −47.556−46.199 1.00 46.81 MOL1 O ATOM 280 NE2 GLN A 37 50.016 −49.527 −47.2871.00 24.92 MOL1 N ATOM 281 C GLN A 37 53.647 −50.126 −44.581 1.00 34.22MOL1 C ATOM 282 O GLN A 37 53.724 −49.490 −43.538 1.00 41.80 MOL1 O ATOM283 N GLN A 38 54.440 −49.882 −45.611 1.00 36.15 MOL1 N ATOM 284 CA GLNA 38 55.405 −48.801 −45.516 1.00 35.62 MOL1 C ATOM 285 CB GLN A 3856.743 −49.324 −45.023 1.00 32.87 MOL1 C ATOM 286 CG GLN A 38 57.828−48.289 −45.090 1.00 38.05 MOL1 C ATOM 287 CD GLN A 38 59.145 −48.758−44.498 1.00 42.59 MOL1 C ATOM 288 OE1 GLN A 38 59.598 −49.876 −44.7601.00 42.39 MOL1 O ATOM 289 NE2 GLN A 38 59.779 −47.892 −43.708 1.0036.19 MOL1 N ATOM 290 C GLN A 38 55.588 −48.109 −46.839 1.00 36.42 MOL1C ATOM 291 O GLN A 38 55.911 −48.752 −47.830 1.00 39.70 MOL1 O ATOM 292N LYS A 39 55.353 −46.800 −46.857 1.00 37.89 MOL1 N ATOM 293 CA LYS A 3955.509 −46.014 −48.078 1.00 41.72 MOL1 C ATOM 294 CB LYS A 39 54.682−44.722 −48.051 1.00 37.51 MOL1 C ATOM 295 CG LYS A 39 53.216 −44.884−47.725 1.00 44.18 MOL1 C ATOM 296 CD LYS A 39 52.470 −45.653 −48.7851.00 42.55 MOL1 C ATOM 297 CE LYS A 39 50.969 −45.457 −48.626 1.00 42.83MOL1 C ATOM 298 NZ LYS A 39 50.575 −44.017 −48.679 1.00 43.58 MOL1 NATOM 299 C LYS A 39 56.967 −45.625 −48.097 1.00 45.26 MOL1 C ATOM 300 OLYS A 39 57.645 −45.729 −47.087 1.00 42.51 MOL1 O ATOM 301 N PRO A 4057.463 −45.152 −49.243 1.00 50.43 MOL1 N ATOM 302 CD PRO A 40 56.783−45.080 −50.543 1.00 57.17 MOL1 C ATOM 303 CA PRO A 40 58.864 −44.749−49.360 1.00 50.55 MOL1 C ATOM 304 CB PRO A 40 59.011 −44.416 −50.8341.00 50.04 MOL1 C ATOM 305 CG PRO A 40 57.937 −45.247 −51.486 1.00 65.03MOL1 C ATOM 306 C PRO A 40 59.141 −43.535 −48.501 1.00 55.95 MOL1 C ATOM307 O PRO A 40 58.425 −42.534 −48.591 1.00 57.59 MOL1 O ATOM 308 N GLY A41 60.171 −43.627 −47.665 1.00 59.86 MOL1 N ATOM 309 CA GLY A 41 60.536−42.501 −46.823 1.00 63.21 MOL1 C ATOM 310 C GLY A 41 59.937 −42.484−45.434 1.00 67.58 MOL1 C ATOM 311 O GLY A 41 60.609 −42.093 −44.4791.00 70.86 MOL1 O ATOM 312 N LYS A 42 58.678 −42.894 −45.308 1.00 66.25MOL1 N ATOM 313 CA LYS A 42 58.036 −42.913 −44.005 1.00 62.93 MOL1 CATOM 314 CB LYS A 42 56.532 −42.646 −44.175 1.00 74.75 MOL1 C ATOM 315CG LYS A 42 55.962 −41.619 −43.159 1.00 91.14 MOL1 C ATOM 316 CD LYS A42 55.795 −42.209 −41.726 1.00 87.95 MOL1 C ATOM 317 CE LYS A 42 56.220−41.239 −40.612 1.00 79.63 MOL1 C ATOM 318 NZ LYS A 42 57.692 −41.271−40.342 1.00 67.73 MOL1 N ATOM 319 C LYS A 42 58.321 −44.251 −43.2731.00 54.36 MOL1 C ATOM 320 O LYS A 42 58.987 −45.129 −43.827 1.00 53.81MOL1 O ATOM 321 N ALA A 43 57.853 −44.398 −42.032 1.00 41.27 MOL1 N ATOM322 CA ALA A 43 58.090 −45.624 −41.269 1.00 37.44 MOL1 C ATOM 323 CB ALAA 43 58.311 −45.298 −39.829 1.00 31.23 MOL1 C ATOM 324 C ALA A 43 56.951−46.613 −41.384 1.00 39.99 MOL1 C ATOM 325 O ALA A 43 55.837 −46.236−41.720 1.00 48.24 MOL1 O ATOM 326 N PRO A 44 57.207 −47.892 −41.0641.00 40.76 MOL1 N ATOM 327 CD PRO A 44 58.327 −48.380 −40.244 1.00 43.70MOL1 C ATOM 328 CA PRO A 44 56.163 −48.916 −41.154 1.00 39.42 MOL1 CATOM 329 CB PRO A 44 56.766 −50.111 −40.410 1.00 41.43 MOL1 C ATOM 330CG PRO A 44 58.225 −49.868 −40.429 1.00 40.94 MOL1 C ATOM 331 C PRO A 4454.900 −48.418 −40.470 1.00 39.92 MOL1 C ATOM 332 O PRO A 44 54.952−47.488 −39.662 1.00 42.44 MOL1 O ATOM 333 N LYS A 45 53.773 −49.041−40.792 1.00 33.97 MOL1 N ATOM 334 CA LYS A 45 52.500 −48.663 −40.2111.00 29.31 MOL1 C ATOM 335 CB LYS A 45 51.802 −47.628 −41.110 1.00 23.93MOL1 C ATOM 336 CG LYS A 45 50.614 −46.938 −40.477 1.00 49.73 MOL1 CATOM 337 CD LYS A 45 49.426 −47.914 −40.236 1.00 65.12 MOL1 C ATOM 338CE LYS A 45 48.637 −47.640 −38.911 1.00 69.62 MOL1 C ATOM 339 NZ LYS A45 49.396 −47.958 −37.634 1.00 66.75 MOL1 N ATOM 340 C LYS A 45 51.706−49.954 −40.101 1.00 25.70 MOL1 C ATOM 341 O LYS A 45 51.601 −50.709−41.051 1.00 28.05 MOL1 O ATOM 342 N LEU A 46 51.168 −50.228 −38.9251.00 27.60 MOL1 N ATOM 343 CA LEU A 46 50.410 −51.452 −38.738 1.00 28.62MOL1 C ATOM 344 CB LEU A 46 50.121 −51.647 −37.252 1.00 22.22 MOL1 CATOM 345 CG LEU A 46 49.308 −52.852 −36.800 1.00 29.50 MOL1 C ATOM 346CD1 LEU A 46 49.954 −54.157 −37.235 1.00 34.12 MOL1 C ATOM 347 CD2 LEU A46 49.202 −52.805 −35.296 1.00 32.37 MOL1 C ATOM 348 C LEU A 46 49.115−51.466 −39.540 1.00 31.21 MOL1 C ATOM 349 O LEU A 46 48.347 −50.516−39.528 1.00 35.06 MOL1 O ATOM 350 N LEU A 47 48.887 −52.555 −40.2561.00 36.36 MOL1 N ATOM 351 CA LEU A 47 47.682 −52.715 −41.051 1.00 34.09MOL1 C ATOM 352 CB LEU A 47 48.012 −53.198 −42.458 1.00 32.28 MOL1 CATOM 353 CG LEU A 47 48.244 −52.143 −43.523 1.00 40.18 MOL1 C ATOM 354CD1 LEU A 47 48.267 −52.787 −44.907 1.00 38.84 MOL1 C ATOM 355 CD2 LEU A47 47.122 −51.145 −43.444 1.00 45.92 MOL1 C ATOM 356 C LEU A 47 46.761−53.738 −40.416 1.00 36.98 MOL1 C ATOM 357 O LEU A 47 45.592 −53.471−40.193 1.00 40.47 MOL1 O ATOM 358 N ILE A 48 47.305 −54.909 −40.1121.00 35.94 MOL1 N ATOM 359 CA ILE A 48 46.518 −55.986 −39.555 1.00 33.25MOL1 C ATOM 360 CB ILE A 48 46.192 −56.963 −40.656 1.00 27.62 MOL1 CATOM 361 CG2 ILE A 48 45.776 −58.294 −40.078 1.00 23.32 MOL1 C ATOM 362CG1 ILE A 48 45.137 −56.356 −41.560 1.00 26.25 MOL1 C ATOM 363 CD1 ILE A48 44.894 −57.199 −42.775 1.00 34.54 MOL1 C ATOM 364 C ILE A 48 47.219−56.757 −38.457 1.00 37.92 MOL1 C ATOM 365 O ILE A 48 48.370 −57.124−38.614 1.00 40.68 MOL1 O ATOM 366 N TYR A 49 46.530 −57.002 −37.3471.00 41.14 MOL1 N ATOM 367 CA TYR A 49 47.119 −57.786 −36.277 1.00 46.26MOL1 C ATOM 368 CB TYR A 49 47.159 −57.021 −34.949 1.00 55.74 MOL1 CATOM 369 CG TYR A 49 45.822 −56.547 −34.437 1.00 62.14 MOL1 C ATOM 370CD1 TYR A 49 45.335 −55.306 −34.794 1.00 65.27 MOL1 C ATOM 371 CE1 TYR A49 44.117 −54.869 −34.353 1.00 67.22 MOL1 C ATOM 372 CD2 TYR A 49 45.039−57.345 −33.610 1.00 58.99 MOL1 C ATOM 373 CE2 TYR A 49 43.810 −56.909−33.163 1.00 58.66 MOL1 C ATOM 374 CZ TYR A 49 43.358 −55.668 −33.5441.00 63.21 MOL1 C ATOM 375 OH TYR A 49 42.132 −55.195 −33.147 1.00 72.90MOL1 O ATOM 376 C TYR A 49 46.337 −59.085 −36.104 1.00 46.52 MOL1 C ATOM377 O TYR A 49 45.223 −59.228 −36.629 1.00 42.71 MOL1 O ATOM 378 N LEU A50 46.944 −60.025 −35.381 1.00 41.10 MOL1 N ATOM 379 CA LEU A 50 46.345−61.315 −35.135 1.00 34.80 MOL1 C ATOM 380 CB LEU A 50 45.363 −61.201−33.984 1.00 32.33 MOL1 C ATOM 381 CG LEU A 50 45.893 −61.742 −32.6531.00 38.66 MOL1 C ATOM 382 CD1 LEU A 50 47.319 −62.185 −32.829 1.0034.22 MOL1 C ATOM 383 CD2 LEU A 50 45.771 −60.698 −31.568 1.00 34.17MOL1 C ATOM 384 C LEU A 50 45.652 −61.867 −36.369 1.00 38.68 MOL1 C ATOM385 O LEU A 50 44.459 −62.128 −36.353 1.00 44.22 MOL1 O ATOM 386 N VAL A51 46.417 −62.011 −37.444 1.00 40.23 MOL1 N ATOM 387 CA VAL A 51 45.957−62.564 −38.721 1.00 42.34 MOL1 C ATOM 388 CB VAL A 51 45.367 −63.974−38.582 1.00 42.81 MOL1 C ATOM 389 CG1 VAL A 51 45.083 −64.543 −39.9701.00 39.52 MOL1 C ATOM 390 CG2 VAL A 51 46.312 −64.860 −37.852 1.0038.74 MOL1 C ATOM 391 C VAL A 51 44.954 −61.831 −39.560 1.00 44.05 MOL1C ATOM 392 O VAL A 51 45.151 −61.673 −40.768 1.00 44.76 MOL1 O ATOM 393N SER A 52 43.856 −61.408 −38.957 1.00 48.06 MOL1 N ATOM 394 CA SER A 5242.859 −60.755 −39.775 1.00 51.23 MOL1 C ATOM 395 CB SER A 52 41.856−61.804 −40.216 1.00 46.93 MOL1 C ATOM 396 OG SER A 52 41.328 −61.413−41.467 1.00 62.81 MOL1 O ATOM 397 C SER A 52 42.136 −59.531 −39.2271.00 44.79 MOL1 C ATOM 398 O SER A 52 41.180 −59.048 −39.821 1.00 40.87MOL1 O ATOM 399 N ASN A 53 42.617 −59.000 −38.122 1.00 42.43 MOL1 N ATOM400 CA ASN A 53 41.974 −57.853 −37.551 1.00 47.09 MOL1 C ATOM 401 CB ASNA 53 41.955 −58.062 −36.051 1.00 55.32 MOL1 C ATOM 402 CG ASN A 5341.391 −59.423 −35.688 1.00 60.02 MOL1 C ATOM 403 OD1 ASN A 53 42.115−60.319 −35.263 1.00 69.59 MOL1 O ATOM 404 ND2 ASN A 53 40.093 −59.591−35.888 1.00 61.16 MOL1 N ATOM 405 C ASN A 53 42.667 −56.560 −37.9681.00 46.67 MOL1 C ATOM 406 O ASN A 53 43.883 −56.463 −37.909 1.00 50.32MOL1 O ATOM 407 N ARG A 54 41.895 −55.572 −38.410 1.00 43.04 MOL1 N ATOM408 CA ARG A 54 42.470 −54.295 −38.838 1.00 46.76 MOL1 C ATOM 409 CB ARGA 54 41.615 −53.661 −39.918 1.00 51.66 MOL1 C ATOM 410 CG ARG A 5441.349 −54.549 −41.074 1.00 59.02 MOL1 C ATOM 411 CD ARG A 54 40.225−53.990 −41.865 1.00 56.96 MOL1 C ATOM 412 NE ARG A 54 39.479 −55.082−42.452 1.00 72.58 MOL1 N ATOM 413 CZ ARG A 54 38.278 −54.943 −42.9881.00 83.40 MOL1 C ATOM 414 NH1 ARG A 54 37.702 −53.741 −42.998 1.0086.60 MOL1 N ATOM 415 NH2 ARG A 54 37.663 −56.002 −43.508 1.00 87.76MOL1 N ATOM 416 C ARG A 54 42.621 −53.247 −37.746 1.00 48.10 MOL1 C ATOM417 O ARG A 54 41.834 −53.178 −36.809 1.00 51.95 MOL1 O ATOM 418 N GLU A55 43.633 −52.404 −37.885 1.00 52.04 MOL1 N ATOM 419 CA GLU A 55 43.851−51.339 −36.921 1.00 54.69 MOL1 C ATOM 420 CB GLU A 55 45.169 −50.607−37.187 1.00 59.74 MOL1 C ATOM 421 CG GLU A 55 46.197 −50.722 −36.0931.00 66.74 MOL1 C ATOM 422 CD GLU A 55 45.609 −50.484 −34.726 1.00 71.76MOL1 C ATOM 423 OE1 GLU A 55 46.368 −50.556 −33.736 1.00 77.92 MOL1 OATOM 424 OE2 GLU A 55 44.387 −50.234 −34.637 1.00 76.06 MOL1 O ATOM 425C GLU A 55 42.716 −50.374 −37.153 1.00 58.65 MOL1 C ATOM 426 O GLU A 5542.017 −50.472 −38.166 1.00 60.22 MOL1 O ATOM 427 N SER A 56 42.550−49.432 −36.232 1.00 62.90 MOL1 N ATOM 428 CA SER A 56 41.495 −48.434−36.329 1.00 68.93 MOL1 C ATOM 429 CB SER A 56 41.733 −47.342 −35.2831.00 73.11 MOL1 C ATOM 430 OG SER A 56 40.885 −46.224 −35.507 1.00 88.98MOL1 O ATOM 431 C SER A 56 41.368 −47.794 −37.720 1.00 69.73 MOL1 C ATOM432 O SER A 56 40.371 −48.000 −38.435 1.00 72.32 MOL1 O ATOM 433 N GLY A57 42.379 −47.027 −38.107 1.00 62.78 MOL1 N ATOM 434 CA GLY A 57 42.325−46.353 −39.390 1.00 62.16 MOL1 C ATOM 435 C GLY A 57 42.241 −47.222−40.631 1.00 60.06 MOL1 C ATOM 436 O GLY A 57 41.522 −46.887 −41.5761.00 62.24 MOL1 O ATOM 437 N VAL A 58 42.971 −48.333 −40.640 1.00 54.16MOL1 N ATOM 438 CA VAL A 58 42.992 −49.222 −41.793 1.00 46.09 MOL1 CATOM 439 CB VAL A 58 43.492 −50.641 −41.428 1.00 42.17 MOL1 C ATOM 440CG1 VAL A 58 43.441 −51.531 −42.658 1.00 44.61 MOL1 C ATOM 441 CG2 VAL A58 44.914 −50.589 −40.919 1.00 33.38 MOL1 C ATOM 442 C VAL A 58 41.639−49.362 −42.478 1.00 47.33 MOL1 C ATOM 443 O VAL A 58 40.646 −49.733−41.851 1.00 50.17 MOL1 O ATOM 444 N PRO A 59 41.598 −49.063 −43.7841.00 43.39 MOL1 N ATOM 445 CD PRO A 59 42.726 −48.444 −44.489 1.00 50.20MOL1 C ATOM 446 CA PRO A 59 40.450 −49.114 −44.672 1.00 43.89 MOL1 CATOM 447 CB PRO A 59 41.041 −48.754 −46.013 1.00 38.01 MOL1 C ATOM 448CG PRO A 59 42.029 −47.769 −45.649 1.00 47.10 MOL1 C ATOM 449 C PRO A 5939.774 −50.451 −44.722 1.00 48.92 MOL1 C ATOM 450 O PRO A 59 40.312−51.472 −44.331 1.00 50.56 MOL1 O ATOM 451 N SER A 60 38.571 −50.408−45.254 1.00 60.71 MOL1 N ATOM 452 CA SER A 60 37.716 −51.560 −45.3941.00 62.90 MOL1 C ATOM 453 CB SER A 60 36.349 −51.056 −45.920 1.00 73.59MOL1 C ATOM 454 OG SER A 60 36.074 −49.695 −45.508 1.00 70.93 MOL1 OATOM 455 C SER A 60 38.332 −52.630 −46.325 1.00 59.30 MOL1 C ATOM 456 OSER A 60 38.222 −53.827 −46.047 1.00 52.16 MOL1 O ATOM 457 N ARG A 6139.001 −52.194 −47.403 1.00 57.27 MOL1 N ATOM 458 CA ARG A 61 39.595−53.110 −48.401 1.00 50.63 MOL1 C ATOM 459 CB ARG A 61 40.135 −52.329−49.615 1.00 44.86 MOL1 C ATOM 460 CG ARG A 61 40.850 −51.018 −49.2971.00 48.98 MOL1 C ATOM 461 CD ARG A 61 41.327 −50.284 −50.562 1.00 38.52MOL1 C ATOM 462 NE ARG A 61 42.113 −49.084 −50.256 1.00 36.18 MOL1 NATOM 463 CZ ARG A 61 41.633 −48.005 −49.641 1.00 45.79 MOL1 C ATOM 464NH1 ARG A 61 40.364 −47.972 −49.265 1.00 59.68 MOL1 N ATOM 465 NH2 ARG A61 42.410 −46.955 −49.396 1.00 43.46 MOL1 N ATOM 466 C ARG A 61 40.653−54.103 −47.951 1.00 48.11 MOL1 C ATOM 467 O ARG A 61 40.679 −55.230−48.426 1.00 49.00 MOL1 O ATOM 468 N PHE A 62 41.524 −53.702 −47.0401.00 51.14 MOL1 N ATOM 469 CA PHE A 62 42.579 −54.595 −46.560 1.00 50.93MOL1 C ATOM 470 CB PHE A 62 43.596 −53.804 −45.744 1.00 51.89 MOL1 CATOM 471 CG PHE A 62 44.446 −52.895 −46.561 1.00 46.54 MOL1 C ATOM 472CD1 PHE A 62 45.569 −53.374 −47.197 1.00 51.00 MOL1 C ATOM 473 CD2 PHE A62 44.117 −51.571 −46.702 1.00 47.30 MOL1 C ATOM 474 CE1 PHE A 62 46.351−52.549 −47.957 1.00 54.48 MOL1 C ATOM 475 CE2 PHE A 62 44.894 −50.738−47.465 1.00 54.48 MOL1 C ATOM 476 CZ PHE A 62 46.016 −51.228 −48.0941.00 54.72 MOL1 C ATOM 477 C PHE A 62 42.029 −55.724 −45.707 1.00 50.14MOL1 C ATOM 478 O PHE A 62 41.314 −55.478 −44.741 1.00 53.36 MOL1 O ATOM479 N SER A 63 42.382 −56.960 −46.047 1.00 50.94 MOL1 N ATOM 480 CA SERA 63 41.903 −58.131 −45.299 1.00 54.44 MOL1 C ATOM 481 CB SER A 6340.640 −58.702 −45.963 1.00 55.07 MOL1 C ATOM 482 OG SER A 63 40.676−58.570 −47.379 1.00 55.10 MOL1 O ATOM 483 C SER A 63 42.937 −59.249−45.147 1.00 53.22 MOL1 C ATOM 484 O SER A 63 43.529 −59.695 −46.1191.00 48.30 MOL1 O ATOM 485 N GLY A 64 43.146 −59.706 −43.920 1.00 57.34MOL1 N ATOM 486 CA GLY A 64 44.112 −60.766 −43.690 1.00 60.19 MOL1 CATOM 487 C GLY A 64 43.429 −62.111 −43.737 1.00 63.57 MOL1 C ATOM 488 OGLY A 64 42.224 −62.166 −43.974 1.00 70.23 MOL1 O ATOM 489 N SER A 6544.179 −63.188 −43.515 1.00 64.27 MOL1 N ATOM 490 CA SER A 65 43.611−64.543 −43.539 1.00 65.17 MOL1 C ATOM 491 CB SER A 65 42.818 −64.763−44.816 1.00 58.41 MOL1 C ATOM 492 OG SER A 65 43.689 −64.837 −45.9151.00 51.64 MOL1 O ATOM 493 C SER A 65 44.689 −65.612 −43.478 1.00 68.10MOL1 C ATOM 494 O SER A 65 45.642 −65.562 −44.247 1.00 73.66 MOL1 O ATOM495 N GLY A 66 44.542 −66.590 −42.592 1.00 66.93 MOL1 N ATOM 496 CA GLYA 66 45.564 −67.610 −42.522 1.00 72.19 MOL1 C ATOM 497 C GLY A 66 45.465−68.652 −41.431 1.00 78.05 MOL1 C ATOM 498 O GLY A 66 44.768 −68.487−40.431 1.00 78.15 MOL1 O ATOM 499 N SER A 67 46.204 −69.735 −41.6411.00 84.82 MOL1 N ATOM 500 CA SER A 67 46.245 −70.864 −40.726 1.00 92.63MOL1 C ATOM 501 CB SER A 67 46.594 −72.142 −41.522 1.00 98.58 MOL1 CATOM 502 OG SER A 67 46.395 −73.337 −40.771 1.00 104.28 MOL1 O ATOM 503C SER A 67 47.292 −70.612 −39.646 1.00 91.84 MOL1 C ATOM 504 O SER A 6747.033 −69.929 −38.649 1.00 88.73 MOL1 O ATOM 505 N GLY A 68 48.475−71.175 −39.868 1.00 91.75 MOL1 N ATOM 506 CA GLY A 68 49.575 −71.034−38.934 1.00 91.50 MOL1 C ATOM 507 C GLY A 68 50.883 −71.335 −39.6401.00 91.39 MOL1 C ATOM 508 O GLY A 68 51.926 −71.482 −39.010 1.00 90.20MOL1 O ATOM 509 N THR A 69 50.815 −71.431 −40.964 1.00 92.60 MOL1 N ATOM510 CA THR A 69 51.985 −71.707 −41.796 1.00 93.85 MOL1 C ATOM 511 CB THRA 69 52.082 −73.213 −42.153 1.00 98.87 MOL1 C ATOM 512 OG1 THR A 6952.875 −73.372 −43.335 1.00 101.90 MOL1 O ATOM 513 CG2 THR A 69 50.694−73.811 −42.391 1.00 103.36 MOL1 C ATOM 514 C THR A 69 51.913 −70.893−43.088 1.00 89.96 MOL1 C ATOM 515 O THR A 69 52.928 −70.476 −43.6421.00 86.26 MOL1 O ATOM 516 N ASP A 70 50.695 −70.670 −43.558 1.00 87.82MOL1 N ATOM 517 CA ASP A 70 50.466 −69.906 −44.770 1.00 85.45 MOL1 CATOM 518 CB ASP A 70 49.881 −70.815 −45.848 1.00 95.94 MOL1 C ATOM 519CG ASP A 70 50.904 −71.768 −46.422 1.00 104.24 MOL1 C ATOM 520 OD1 ASP A70 51.583 −71.378 −47.400 1.00 111.20 MOL1 O ATOM 521 OD2 ASP A 7051.038 −72.896 −45.891 1.00 104.29 MOL1 O ATOM 522 C ASP A 70 49.491−68.786 −44.463 1.00 76.70 MOL1 C ATOM 523 O ASP A 70 48.476 −69.002−43.812 1.00 79.25 MOL1 O ATOM 524 N PHE A 71 49.803 −67.591 −44.9351.00 65.62 MOL1 N ATOM 525 CA PHE A 71 48.947 −66.446 −44.712 1.00 57.28MOL1 C ATOM 526 CB PHE A 71 49.515 −65.591 −43.610 1.00 55.73 MOL1 CATOM 527 CG PHE A 71 49.677 −66.310 −42.327 1.00 57.16 MOL1 C ATOM 528CD1 PHE A 71 48.666 −66.313 −41.394 1.00 61.41 MOL1 C ATOM 529 CD2 PHE A71 50.851 −66.957 −42.034 1.00 56.82 MOL1 C ATOM 530 CE1 PHE A 71 48.833−66.945 −40.190 1.00 62.74 MOL1 C ATOM 531 CE2 PHE A 71 51.019 −67.588−40.833 1.00 57.76 MOL1 C ATOM 532 CZ PHE A 71 50.013 −67.582 −39.9101.00 60.40 MOL1 C ATOM 533 C PHE A 71 48.861 −65.621 −45.969 1.00 53.97MOL1 C ATOM 534 O PHE A 71 49.711 −65.713 −46.843 1.00 54.59 MOL1 O ATOM535 N THR A 72 47.847 −64.785 −46.050 1.00 49.73 MOL1 N ATOM 536 CA THRA 72 47.694 −63.975 −47.228 1.00 52.51 MOL1 C ATOM 537 CB THR A 7246.884 −64.747 −48.258 1.00 52.75 MOL1 C ATOM 538 OG1 THR A 72 45.947−65.587 −47.577 1.00 64.27 MOL1 O ATOM 539 CG2 THR A 72 47.790 −65.642−49.075 1.00 60.75 MOL1 C ATOM 540 C THR A 72 47.040 −62.646 −46.9231.00 52.73 MOL1 C ATOM 541 O THR A 72 46.052 −62.582 −46.196 1.00 63.07MOL1 O ATOM 542 N LEU A 73 47.622 −61.575 −47.442 1.00 46.87 MOL1 N ATOM543 CA LEU A 73 47.058 −60.253 −47.244 1.00 45.65 MOL1 C ATOM 544 CB LEUA 73 48.141 −59.220 −46.949 1.00 41.84 MOL1 C ATOM 545 CG LEU A 7347.623 −57.784 −47.007 1.00 36.88 MOL1 C ATOM 546 CD1 LEU A 73 46.384−57.656 −46.159 1.00 41.11 MOL1 C ATOM 547 CD2 LEU A 73 48.678 −56.844−46.521 1.00 31.94 MOL1 C ATOM 548 C LEU A 73 46.404 −59.949 −48.5641.00 45.20 MOL1 C ATOM 549 O LEU A 73 46.907 −60.347 −49.598 1.00 47.90MOL1 O ATOM 550 N THR A 74 45.279 −59.255 −48.551 1.00 47.26 MOL1 N ATOM551 CA THR A 74 44.619 −58.979 −49.809 1.00 44.51 MOL1 C ATOM 552 CB THRA 74 43.712 −60.167 −50.198 1.00 41.06 MOL1 C ATOM 553 OG1 THR A 7442.684 −59.708 −51.073 1.00 47.07 MOL1 O ATOM 554 CG2 THR A 74 43.108−60.828 −48.960 1.00 35.97 MOL1 C ATOM 555 C THR A 74 43.844 −57.672−49.871 1.00 43.60 MOL1 C ATOM 556 O THR A 74 43.046 −57.345 −48.9911.00 46.72 MOL1 O ATOM 557 N ILE A 75 44.102 −56.927 −50.933 1.00 37.25MOL1 N ATOM 558 CA ILE A 75 43.465 −55.655 −51.145 1.00 43.51 MOL1 CATOM 559 CB ILE A 75 44.519 −54.661 −51.591 1.00 38.34 MOL1 C ATOM 560CG2 ILE A 75 43.889 −53.329 −51.907 1.00 45.29 MOL1 C ATOM 561 CG1 ILE A75 45.563 −54.528 −50.483 1.00 40.01 MOL1 C ATOM 562 CD1 ILE A 75 46.792−53.717 −50.864 1.00 44.00 MOL1 C ATOM 563 C ILE A 75 42.360 −55.826−52.191 1.00 51.76 MOL1 C ATOM 564 O ILE A 75 42.638 −55.972 −53.3751.00 54.94 MOL1 O ATOM 565 N SER A 76 41.107 −55.816 −51.734 1.00 56.54MOL1 N ATOM 566 CA SER A 76 39.951 −56.004 −52.605 1.00 57.64 MOL1 CATOM 567 CB SER A 76 38.660 −55.979 −51.789 1.00 66.08 MOL1 C ATOM 568OG SER A 76 38.509 −54.748 −51.105 1.00 79.00 MOL1 O ATOM 569 C SER A 7639.831 −55.022 −53.751 1.00 58.33 MOL1 C ATOM 570 O SER A 76 39.343−55.378 −54.819 1.00 65.75 MOL1 O ATOM 571 N SER A 77 40.266 −53.787−53.553 1.00 54.83 MOL1 N ATOM 572 CA SER A 77 40.166 −52.825 −54.6331.00 54.06 MOL1 C ATOM 573 CB SER A 77 38.801 −52.148 −54.570 1.00 51.46MOL1 C ATOM 574 OG SER A 77 38.583 −51.319 −55.694 1.00 63.11 MOL1 OATOM 575 C SER A 77 41.293 −51.807 −54.534 1.00 54.48 MOL1 C ATOM 576 OSER A 77 41.129 −50.745 −53.935 1.00 60.30 MOL1 O ATOM 577 N LEU A 7842.432 −52.131 −55.139 1.00 50.14 MOL1 N ATOM 578 CA LEU A 78 43.598−51.257 −55.081 1.00 51.12 MOL1 C ATOM 579 CB LEU A 78 44.644 −51.685−56.099 1.00 51.48 MOL1 C ATOM 580 CG LEU A 78 46.065 −51.361 −55.6471.00 45.21 MOL1 C ATOM 581 CD1 LEU A 78 46.215 −51.714 −54.187 1.0049.93 MOL1 C ATOM 582 CD2 LEU A 78 47.057 −52.158 −56.471 1.00 53.87MOL1 C ATOM 583 C LEU A 78 43.266 −49.795 −55.273 1.00 50.05 MOL1 C ATOM584 O LEU A 78 42.458 −49.432 −56.113 1.00 52.69 MOL1 O ATOM 585 N GLN A79 43.913 −48.960 −54.478 1.00 51.14 MOL1 N ATOM 586 CA GLN A 79 43.686−47.533 −54.505 1.00 54.98 MOL1 C ATOM 587 CB GLN A 79 43.013 −47.138−53.195 1.00 59.11 MOL1 C ATOM 588 CG GLN A 79 41.566 −47.551 −53.1321.00 56.17 MOL1 C ATOM 589 CD GLN A 79 40.705 −46.616 −53.944 1.00 65.00MOL1 C ATOM 590 OE1 GLN A 79 40.548 −45.445 −53.584 1.00 69.29 MOL1 OATOM 591 NE2 GLN A 79 40.154 −47.111 −55.052 1.00 60.06 MOL1 N ATOM 592C GLN A 79 44.998 −46.782 −54.696 1.00 55.91 MOL1 C ATOM 593 O GLN A 7946.067 −47.289 −54.369 1.00 59.17 MOL1 O ATOM 594 N PRO A 80 44.932−45.553 −55.216 1.00 54.38 MOL1 N ATOM 595 CD PRO A 80 43.722 −44.744−55.426 1.00 55.89 MOL1 C ATOM 596 CA PRO A 80 46.132 −44.753 −55.4451.00 56.22 MOL1 C ATOM 597 CB PRO A 80 45.579 −43.344 −55.609 1.00 56.08MOL1 C ATOM 598 CG PRO A 80 44.255 −43.577 −56.221 1.00 57.32 MOL1 CATOM 599 C PRO A 80 47.115 −44.837 −54.295 1.00 59.55 MOL1 C ATOM 600 OPRO A 80 48.287 −45.128 −54.486 1.00 63.58 MOL1 O ATOM 601 N GLU A 8146.625 −44.589 −53.090 1.00 64.22 MOL1 N ATOM 602 CA GLU A 81 47.484−44.599 −51.915 1.00 67.38 MOL1 C ATOM 603 CB GLU A 81 46.868 −43.748−50.790 1.00 75.36 MOL1 C ATOM 604 CG GLU A 81 45.403 −44.042 −50.4331.00 89.45 MOL1 C ATOM 605 CD GLU A 81 44.411 −43.540 −51.485 1.00 99.68MOL1 C ATOM 606 OE1 GLU A 81 44.598 −42.413 −51.993 1.00 107.02 MOL1 OATOM 607 OE2 GLU A 81 43.434 −44.260 −51.793 1.00 103.73 MOL1 O ATOM 608C GLU A 81 47.838 −45.972 −51.373 1.00 63.47 MOL1 C ATOM 609 O GLU A 8148.442 −46.078 −50.310 1.00 66.19 MOL1 O ATOM 610 N ASP A 82 47.478−47.025 −52.093 1.00 55.40 MOL1 N ATOM 611 CA ASP A 82 47.787 −48.360−51.612 1.00 52.01 MOL1 C ATOM 612 CB ASP A 82 46.642 −49.312 −51.9381.00 56.83 MOL1 C ATOM 613 CG ASP A 82 45.415 −49.054 −51.078 1.00 66.32MOL1 C ATOM 614 OD1 ASP A 82 44.359 −49.654 −51.361 1.00 72.61 MOL1 OATOM 615 OD2 ASP A 82 45.509 −48.256 −50.113 1.00 68.72 MOL1 O ATOM 616C ASP A 82 49.087 −48.858 −52.195 1.00 46.60 MOL1 C ATOM 617 O ASP A 8249.567 −49.941 −51.874 1.00 43.30 MOL1 O ATOM 618 N PHE A 83 49.668−48.033 −53.046 1.00 47.70 MOL1 N ATOM 619 CA PHE A 83 50.921 −48.370−53.679 1.00 44.13 MOL1 C ATOM 620 CB PHE A 83 51.070 −47.521 −54.9331.00 41.53 MOL1 C ATOM 621 CG PHE A 83 50.119 −47.924 −56.015 1.00 42.12MOL1 C ATOM 622 CD1 PHE A 83 49.467 −46.981 −56.783 1.00 45.02 MOL1 CATOM 623 CD2 PHE A 83 49.866 −49.269 −56.249 1.00 39.47 MOL1 C ATOM 624CE1 PHE A 83 48.577 −47.370 −57.768 1.00 42.50 MOL1 C ATOM 625 CE2 PHE A83 48.990 −49.664 −57.221 1.00 38.30 MOL1 C ATOM 626 CZ PHE A 83 48.341−48.713 −57.985 1.00 45.95 MOL1 C ATOM 627 C PHE A 83 52.052 −48.161−52.697 1.00 43.58 MOL1 C ATOM 628 O PHE A 83 52.493 −47.032 −52.4491.00 45.73 MOL1 O ATOM 629 N ALA A 84 52.493 −49.270 −52.120 1.00 37.49MOL1 N ATOM 630 CA ALA A 84 53.559 −49.243 −51.147 1.00 40.43 MOL1 CATOM 631 CB ALA A 84 53.029 −48.767 −49.818 1.00 43.56 MOL1 C ATOM 632 CALA A 84 54.132 −50.634 −51.006 1.00 42.01 MOL1 C ATOM 633 O ALA A 8453.845 −51.518 −51.804 1.00 41.77 MOL1 O ATOM 634 N THR A 85 54.945−50.826 −49.980 1.00 40.50 MOL1 N ATOM 635 CA THR A 85 55.553 −52.116−49.747 1.00 39.92 MOL1 C ATOM 636 CB THR A 85 57.031 −51.947 −49.4601.00 40.88 MOL1 C ATOM 637 OG1 THR A 85 57.604 −51.091 −50.459 1.0042.78 MOL1 O ATOM 638 CG2 THR A 85 57.726 −53.299 −49.478 1.00 43.47MOL1 C ATOM 639 C THR A 85 54.861 −52.701 −48.542 1.00 37.47 MOL1 C ATOM640 O THR A 85 54.524 −51.956 −47.630 1.00 46.04 MOL1 O ATOM 641 N TYR A86 54.645 −54.015 −48.533 1.00 28.79 MOL1 N ATOM 642 CA TYR A 86 53.965−54.650 −47.410 1.00 31.98 MOL1 C ATOM 643 CB TYR A 86 52.646 −55.275−47.867 1.00 26.49 MOL1 C ATOM 644 CG TYR A 86 51.683 −54.268 −48.4111.00 31.80 MOL1 C ATOM 645 CD1 TYR A 86 51.686 −53.929 −49.751 1.0035.58 MOL1 C ATOM 646 CE1 TYR A 86 50.866 −52.925 −50.235 1.00 41.53MOL1 C ATOM 647 CD2 TYR A 86 50.826 −53.581 −47.563 1.00 39.59 MOL1 CATOM 648 CE2 TYR A 86 50.004 −52.575 −48.034 1.00 44.60 MOL1 C ATOM 649CZ TYR A 86 50.028 −52.251 −49.369 1.00 44.00 MOL1 C ATOM 650 OH TYR A86 49.209 −51.253 −49.830 1.00 43.24 MOL1 O ATOM 651 C TYR A 86 54.802−55.709 −46.734 1.00 34.26 MOL1 C ATOM 652 O TYR A 86 55.434 −56.512−47.405 1.00 40.66 MOL1 O ATOM 653 N TYR A 87 54.803 −55.717 −45.4051.00 33.32 MOL1 N ATOM 654 CA TYR A 87 55.568 −56.712 −44.658 1.00 38.87MOL1 C ATOM 655 CB TYR A 87 56.624 −56.051 −43.773 1.00 36.89 MOL1 CATOM 656 CG TYR A 87 57.685 −55.249 −44.478 1.00 42.15 MOL1 C ATOM 657CD1 TYR A 87 58.720 −55.857 −45.146 1.00 40.66 MOL1 C ATOM 658 CE1 TYR A87 59.692 −55.105 −45.755 1.00 45.97 MOL1 C ATOM 659 CD2 TYR A 87 57.656−53.869 −44.443 1.00 50.79 MOL1 C ATOM 660 CE2 TYR A 87 58.614 −53.116−45.043 1.00 44.67 MOL1 C ATOM 661 CZ TYR A 87 59.626 −53.729 −45.6981.00 47.60 MOL1 C ATOM 662 OH TYR A 87 60.561 −52.943 −46.322 1.00 60.90MOL1 O ATOM 663 C TYR A 87 54.697 −57.563 −43.729 1.00 41.64 MOL1 C ATOM664 O TYR A 87 53.758 −57.056 −43.113 1.00 48.19 MOL1 O ATOM 665 N CYS A88 55.008 −58.852 −43.622 1.00 36.06 MOL1 N ATOM 666 CA CYS A 88 54.294−59.709 −42.699 1.00 35.87 MOL1 C ATOM 667 C CYS A 88 55.242 −59.871−41.530 1.00 35.09 MOL1 C ATOM 668 O CYS A 88 56.423 −59.588 −41.6521.00 35.96 MOL1 O ATOM 669 CB CYS A 88 53.976 −61.072 −43.305 1.00 46.96MOL1 C ATOM 670 SG CYS A 88 55.305 −61.989 −44.165 1.00 71.08 MOL1 SATOM 671 N GLN A 89 54.737 −60.287 −40.382 1.00 34.49 MOL1 N ATOM 672 CAGLN A 89 55.600 −60.461 −39.234 1.00 37.20 MOL1 C ATOM 673 CB GLN A 8955.804 −59.154 −38.489 1.00 33.50 MOL1 C ATOM 674 CG GLN A 89 56.361−59.397 −37.094 1.00 44.65 MOL1 C ATOM 675 CD GLN A 89 56.013 −58.301−36.118 1.00 49.46 MOL1 C ATOM 676 OE1 GLN A 89 54.910 −57.757 −36.1661.00 50.94 MOL1 O ATOM 677 NE2 GLN A 89 56.941 −57.982 −35.208 1.0046.81 MOL1 N ATOM 678 C GLN A 89 54.978 −61.454 −38.291 1.00 44.45 MOL1C ATOM 679 O GLN A 89 53.758 −61.519 −38.172 1.00 51.12 MOL1 O ATOM 680N GLN A 90 55.820 −62.229 −37.619 1.00 47.34 MOL1 N ATOM 681 CA GLN A 9055.348 −63.226 −36.672 1.00 50.10 MOL1 C ATOM 682 CB GLN A 90 55.862−64.608 −37.060 1.00 55.58 MOL1 C ATOM 683 CG GLN A 90 57.377 −64.774−37.019 1.00 61.93 MOL1 C ATOM 684 CD GLN A 90 57.891 −65.004 −35.6151.00 71.03 MOL1 C ATOM 685 OE1 GLN A 90 57.237 −65.669 −34.812 1.0074.70 MOL1 O ATOM 686 NE2 GLN A 90 59.075 −64.472 −35.313 1.00 76.62MOL1 N ATOM 687 C GLN A 90 55.868 −62.855 −35.309 1.00 51.67 MOL1 C ATOM688 O GLN A 90 56.885 −62.179 −35.202 1.00 58.41 MOL1 O ATOM 689 N THR A91 55.168 −63.280 −34.265 1.00 51.85 MOL1 N ATOM 690 CA THR A 91 55.593−62.987 −32.902 1.00 55.11 MOL1 C ATOM 691 CB THR A 91 54.778 −61.855−32.274 1.00 46.22 MOL1 C ATOM 692 OG1 THR A 91 53.388 −62.151 −32.4011.00 48.12 MOL1 O ATOM 693 CG2 THR A 91 55.077 −60.541 −32.946 1.0044.09 MOL1 C ATOM 694 C THR A 91 55.435 −64.220 −32.027 1.00 64.53 MOL1C ATOM 695 O THR A 91 55.304 −64.120 −30.808 1.00 67.98 MOL1 O ATOM 696N TRP A 92 55.443 −65.385 −32.658 1.00 72.17 MOL1 N ATOM 697 CA TRP A 9255.323 −66.638 −31.937 1.00 79.07 MOL1 C ATOM 698 CB TRP A 92 54.998−67.758 −32.917 1.00 81.59 MOL1 C ATOM 699 CG TRP A 92 54.701 −69.061−32.275 1.00 86.75 MOL1 C ATOM 700 CD2 TRP A 92 54.106 −69.274 −30.9901.00 92.89 MOL1 C ATOM 701 CE2 TRP A 92 53.909 −70.658 −30.850 1.0094.73 MOL1 C ATOM 702 CE3 TRP A 92 53.716 −68.430 −29.947 1.00 101.96MOL1 C ATOM 703 CD1 TRP A 92 54.845 −70.285 −32.836 1.00 88.08 MOL1 CATOM 704 NE1 TRP A 92 54.372 −71.253 −31.992 1.00 93.41 MOL1 N ATOM 705CZ2 TRP A 92 53.337 −71.222 −29.712 1.00 100.68 MOL1 C ATOM 706 CZ3 TRPA 92 53.149 −68.991 −28.813 1.00 106.61 MOL1 C ATOM 707 CH2 TRP A 9252.964 −70.374 −28.707 1.00 104.86 MOL1 C ATOM 708 C TRP A 92 56.654−66.939 −31.253 1.00 83.90 MOL1 C ATOM 709 O TRP A 92 56.732 −67.010−30.026 1.00 83.82 MOL1 O ATOM 710 N SER A 93 57.698 −67.114 −32.0641.00 89.43 MOL1 N ATOM 711 CA SER A 93 59.036 −67.419 −31.562 1.00 93.50MOL1 C ATOM 712 CB SER A 93 59.828 −68.239 −32.571 1.00 96.02 MOL1 CATOM 713 OG SER A 93 61.175 −68.365 −32.142 1.00 102.98 MOL1 O ATOM 714C SER A 93 59.807 −66.157 −31.260 1.00 95.51 MOL1 C ATOM 715 O SER A 9359.839 −65.233 −32.079 1.00 95.35 MOL1 O ATOM 716 N ASP A 94 60.466−66.151 −30.105 1.00 95.58 MOL1 N ATOM 717 CA ASP A 94 61.212 −64.992−29.632 1.00 98.53 MOL1 C ATOM 718 CB ASP A 94 62.172 −65.393 −28.5261.00 104.00 MOL1 C ATOM 719 CG ASP A 94 62.238 −64.345 −27.434 1.00112.24 MOL1 C ATOM 720 OD1 ASP A 94 62.584 −63.182 −27.751 1.00 109.59MOL1 O ATOM 721 OD2 ASP A 94 61.928 −64.681 −26.266 1.00 118.48 MOL1 OATOM 722 C ASP A 94 61.936 −64.090 −30.638 1.00 97.05 MOL1 C ATOM 723 OASP A 94 61.807 −62.865 −30.565 1.00 104.64 MOL1 O ATOM 724 N PRO A 9562.742 −64.653 −31.552 1.00 87.92 MOL1 N ATOM 725 CD PRO A 95 63.460−65.934 −31.551 1.00 81.97 MOL1 C ATOM 726 CA PRO A 95 63.374 −63.703−32.477 1.00 79.51 MOL1 C ATOM 727 CB PRO A 95 64.457 −64.533 −33.1481.00 69.47 MOL1 C ATOM 728 CG PRO A 95 64.798 −65.520 −32.099 1.00 80.78MOL1 C ATOM 729 C PRO A 95 62.309 −63.263 −33.474 1.00 77.32 MOL1 C ATOM730 O PRO A 95 62.249 −63.778 −34.587 1.00 82.32 MOL1 O ATOM 731 N TRP A96 61.450 −62.336 −33.066 1.00 69.04 MOL1 N ATOM 732 CA TRP A 96 60.397−61.862 −33.945 1.00 66.16 MOL1 C ATOM 733 CB TRP A 96 59.733 −60.631−33.331 1.00 66.86 MOL1 C ATOM 734 CG TRP A 96 59.124 −60.900 −31.9921.00 67.18 MOL1 C ATOM 735 CD2 TRP A 96 58.857 −59.945 −30.961 1.0067.83 MOL1 C ATOM 736 CE2 TRP A 96 58.234 −60.633 −29.902 1.00 67.54MOL1 C ATOM 737 CE3 TRP A 96 59.081 −58.576 −30.830 1.00 70.92 MOL1 CATOM 738 CD1 TRP A 96 58.666 −62.095 −31.530 1.00 71.15 MOL1 C ATOM 739NE1 TRP A 96 58.129 −61.947 −30.271 1.00 69.68 MOL1 N ATOM 740 CZ2 TRP A96 57.835 −60.000 −28.736 1.00 68.19 MOL1 C ATOM 741 CZ3 TRP A 96 58.682−57.948 −29.665 1.00 73.55 MOL1 C ATOM 742 CH2 TRP A 96 58.067 −58.659−28.636 1.00 70.77 MOL1 C ATOM 743 C TRP A 96 60.997 −61.542 −35.3171.00 64.17 MOL1 C ATOM 744 O TRP A 96 61.995 −60.836 −35.418 1.00 64.70MOL1 O ATOM 745 N THR A 97 60.387 −62.058 −36.374 1.00 59.27 MOL1 N ATOM746 CA THR A 97 60.917 −61.846 −37.711 1.00 60.60 MOL1 C ATOM 747 CB THRA 97 61.405 −63.167 −38.259 1.00 60.68 MOL1 C ATOM 748 OG1 THR A 9760.391 −64.161 −38.061 1.00 58.89 MOL1 O ATOM 749 CG2 THR A 97 62.645−63.598 −37.526 1.00 61.36 MOL1 C ATOM 750 C THR A 97 59.937 −61.239−38.705 1.00 61.06 MOL1 C ATOM 751 O THR A 97 58.726 −61.358 −38.5441.00 69.11 MOL1 O ATOM 752 N PHE A 98 60.463 −60.590 −39.739 1.00 54.88MOL1 N ATOM 753 CA PHE A 98 59.615 −59.974 −40.756 1.00 50.50 MOL1 CATOM 754 CB PHE A 98 59.934 −58.484 −40.917 1.00 50.06 MOL1 C ATOM 755CG PHE A 98 59.553 −57.644 −39.743 1.00 51.18 MOL1 C ATOM 756 CD1 PHE A98 60.091 −57.882 −38.493 1.00 57.23 MOL1 C ATOM 757 CD2 PHE A 98 58.649−56.618 −39.883 1.00 56.31 MOL1 C ATOM 758 CE1 PHE A 98 59.728 −57.108−37.396 1.00 51.93 MOL1 C ATOM 759 CE2 PHE A 98 58.284 −55.845 −38.7911.00 58.59 MOL1 C ATOM 760 CZ PHE A 98 58.827 −56.096 −37.549 1.00 52.32MOL1 C ATOM 761 C PHE A 98 59.793 −60.648 −42.107 1.00 48.51 MOL1 C ATOM762 O PHE A 98 60.632 −61.517 −42.279 1.00 52.64 MOL1 O ATOM 763 N GLY A99 58.986 −60.236 −43.067 1.00 49.51 MOL1 N ATOM 764 CA GLY A 99 59.086−60.799 −44.390 1.00 46.65 MOL1 C ATOM 765 C GLY A 99 60.040 −59.922−45.160 1.00 49.43 MOL1 C ATOM 766 O GLY A 99 60.488 −58.888 −44.6631.00 48.03 MOL1 O ATOM 767 N GLN A 100 60.366 −60.340 −46.371 1.00 50.20MOL1 N ATOM 768 CA GLN A 100 61.262 −59.578 −47.211 1.00 49.98 MOL1 CATOM 769 CB GLN A 100 61.723 −60.441 −48.363 1.00 57.87 MOL1 C ATOM 770CG GLN A 100 60.998 −61.778 −48.411 1.00 68.47 MOL1 C ATOM 771 CD GLN A100 59.849 −61.780 −49.397 1.00 70.21 MOL1 C ATOM 772 OE1 GLN A 10059.070 −62.737 −49.461 1.00 66.70 MOL1 O ATOM 773 NE2 GLN A 100 59.745−60.709 −50.183 1.00 65.68 MOL1 N ATOM 774 C GLN A 100 60.534 −58.357−47.723 1.00 49.56 MOL1 C ATOM 775 O GLN A 100 61.161 −57.399 −48.1611.00 54.53 MOL1 O ATOM 776 N GLY A 101 59.207 −58.396 −47.657 1.00 47.46MOL1 N ATOM 777 CA GLY A 101 58.400 −57.277 −48.110 1.00 50.03 MOL1 CATOM 778 C GLY A 101 58.022 −57.342 −49.576 1.00 50.81 MOL1 C ATOM 779 OGLY A 101 58.829 −57.745 −50.410 1.00 56.79 MOL1 O ATOM 780 N THR A 10256.796 −56.932 −49.890 1.00 47.60 MOL1 N ATOM 781 CA THR A 102 56.305−56.952 −51.258 1.00 40.57 MOL1 C ATOM 782 CB THR A 102 55.035 −57.737−51.366 1.00 37.32 MOL1 C ATOM 783 OG1 THR A 102 55.265 −59.080 −50.9311.00 38.63 MOL1 O ATOM 784 CG2 THR A 102 54.548 −57.713 −52.789 1.0037.75 MOL1 C ATOM 785 C THR A 102 55.991 −55.557 −51.714 1.00 41.46 MOL1C ATOM 786 O THR A 102 55.229 −54.862 −51.068 1.00 45.54 MOL1 O ATOM 787N LYS A 103 56.569 −55.138 −52.827 1.00 45.04 MOL1 N ATOM 788 CA LYS A103 56.305 −53.795 −53.304 1.00 48.50 MOL1 C ATOM 789 CB LYS A 10357.573 −53.127 −53.850 1.00 49.21 MOL1 C ATOM 790 CG LYS A 103 57.312−51.723 −54.383 1.00 57.11 MOL1 C ATOM 791 CD LYS A 103 58.550 −51.076−54.977 1.00 63.39 MOL1 C ATOM 792 CE LYS A 103 59.560 −50.704 −53.9141.00 69.51 MOL1 C ATOM 793 NZ LYS A 103 60.818 −50.204 −54.539 1.0078.00 MOL1 N ATOM 794 C LYS A 103 55.256 −53.843 −54.383 1.00 49.26 MOL1C ATOM 795 O LYS A 103 55.372 −54.598 −55.346 1.00 52.49 MOL1 O ATOM 796N VAL A 104 54.219 −53.038 −54.205 1.00 49.35 MOL1 N ATOM 797 CA VAL A104 53.135 −52.957 −55.168 1.00 42.36 MOL1 C ATOM 798 CB VAL A 10451.783 −52.894 −54.469 1.00 33.97 MOL1 C ATOM 799 CG1 VAL A 104 50.715−52.688 −55.481 1.00 32.23 MOL1 C ATOM 800 CG2 VAL A 104 51.540 −54.173−53.674 1.00 28.43 MOL1 C ATOM 801 C VAL A 104 53.344 −51.676 −55.9421.00 46.45 MOL1 C ATOM 802 O VAL A 104 53.462 −50.605 −55.346 1.00 46.72MOL1 O ATOM 803 N GLU A 105 53.411 −51.789 −57.264 1.00 51.41 MOL1 NATOM 804 CA GLU A 105 53.619 −50.629 −58.122 1.00 54.71 MOL1 C ATOM 805CB GLU A 105 54.998 −50.708 −58.783 1.00 63.51 MOL1 C ATOM 806 CG GLU A105 56.174 −50.756 −57.799 1.00 67.96 MOL1 C ATOM 807 CD GLU A 10557.456 −51.309 −58.432 1.00 71.89 MOL1 C ATOM 808 OE1 GLU A 105 57.469−52.519 −58.801 1.00 56.58 MOL1 O ATOM 809 OE2 GLU A 105 58.438 −50.525−58.554 1.00 68.64 MOL1 O ATOM 810 C GLU A 105 52.521 −50.551 −59.1761.00 52.25 MOL1 C ATOM 811 O GLU A 105 51.925 −51.557 −59.542 1.00 53.45MOL1 O ATOM 812 N ILE A 106 52.263 −49.353 −59.672 1.00 50.55 MOL1 NATOM 813 CA ILE A 106 51.212 −49.166 −60.646 1.00 52.76 MOL1 C ATOM 814CB ILE A 106 50.803 −47.677 −60.680 1.00 62.26 MOL1 C ATOM 815 CG2 ILE A106 52.016 −46.794 −60.970 1.00 61.54 MOL1 C ATOM 816 CG1 ILE A 10649.673 −47.476 −61.688 1.00 73.48 MOL1 C ATOM 817 CD1 ILE A 106 48.388−48.201 −61.320 1.00 75.44 MOL1 C ATOM 818 C ILE A 106 51.565 −49.670−62.040 1.00 49.48 MOL1 C ATOM 819 O ILE A 106 52.576 −49.281 −62.6161.00 52.58 MOL1 O ATOM 820 N LYS A 107 50.726 −50.550 −62.578 1.00 46.45MOL1 N ATOM 821 CA LYS A 107 50.959 −51.104 −63.909 1.00 43.56 MOL1 CATOM 822 CB LYS A 107 50.135 −52.362 −64.130 1.00 41.97 MOL1 C ATOM 823CG LYS A 107 50.252 −52.892 −65.538 1.00 53.11 MOL1 C ATOM 824 CD LYS A107 49.597 −54.256 −65.679 1.00 69.11 MOL1 C ATOM 825 CE LYS A 10750.142 −55.255 −64.660 1.00 75.38 MOL1 C ATOM 826 NZ LYS A 107 49.707−56.653 −64.962 1.00 80.88 MOL1 N ATOM 827 C LYS A 107 50.609 −50.118−64.987 1.00 36.97 MOL1 C ATOM 828 O LYS A 107 49.699 −49.327 −64.8191.00 41.99 MOL1 O ATOM 829 N ARG A 108 51.347 −50.141 −66.087 1.00 38.31MOL1 N ATOM 830 CA ARG A 108 51.041 −49.252 −67.199 1.00 44.40 MOL1 CATOM 831 CB ARG A 108 51.575 −47.840 −66.976 1.00 30.99 MOL1 C ATOM 832CG ARG A 108 53.067 −47.713 −66.891 1.00 31.05 MOL1 C ATOM 833 CD ARG A108 53.482 −46.405 −67.515 1.00 18.10 MOL1 C ATOM 834 NE ARG A 10853.424 −46.544 −68.961 1.00 27.26 MOL1 N ATOM 835 CZ ARG A 108 53.711−45.570 −69.812 1.00 31.83 MOL1 C ATOM 836 NH1 ARG A 108 54.068 −44.380−69.355 1.00 32.06 MOL1 N ATOM 837 NH2 ARG A 108 53.665 −45.790 −71.1181.00 32.92 MOL1 N ATOM 838 C ARG A 108 51.502 −49.757 −68.555 1.00 50.59MOL1 C ATOM 839 O ARG A 108 52.133 −50.811 −68.685 1.00 60.53 MOL1 OATOM 840 N THR A 109 51.156 −48.993 −69.573 1.00 49.21 MOL1 N ATOM 841CA THR A 109 51.473 −49.344 −70.926 1.00 43.13 MOL1 C ATOM 842 CB THR A109 50.745 −48.341 −71.814 1.00 34.44 MOL1 C ATOM 843 OG1 THR A 10950.114 −49.046 −72.886 1.00 53.46 MOL1 O ATOM 844 CG2 THR A 109 51.671−47.272 −72.315 1.00 20.82 MOL1 C ATOM 845 C THR A 109 52.993 −49.363−71.101 1.00 45.40 MOL1 C ATOM 846 O THR A 109 53.678 −48.470 −70.6101.00 40.62 MOL1 O ATOM 847 N ASP A 110 53.519 −50.406 −71.754 1.00 45.48MOL1 N ATOM 848 CA ASP A 110 54.965 −50.524 −71.980 1.00 42.11 MOL1 CATOM 849 CB ASP A 110 55.299 −51.763 −72.815 1.00 44.93 MOL1 C ATOM 850CG ASP A 110 55.170 −53.058 −72.035 1.00 55.76 MOL1 C ATOM 851 OD1 ASP A110 54.900 −53.007 −70.809 1.00 53.90 MOL1 O ATOM 852 OD2 ASP A 11055.347 −54.132 −72.663 1.00 53.88 MOL1 O ATOM 853 C ASP A 110 55.505−49.309 −72.719 1.00 37.40 MOL1 C ATOM 854 O ASP A 110 54.789 −48.670−73.481 1.00 35.95 MOL1 O ATOM 855 N ALA A 111 56.776 −48.999 −72.5011.00 35.91 MOL1 N ATOM 856 CA ALA A 111 57.409 −47.863 −73.156 1.0037.29 MOL1 C ATOM 857 CB ALA A 111 57.185 −46.626 −72.359 1.00 27.90MOL1 C ATOM 858 C ALA A 111 58.897 −48.102 −73.294 1.00 43.95 MOL1 CATOM 859 O ALA A 111 59.549 −48.477 −72.325 1.00 46.55 MOL1 O ATOM 860 NALA A 112 59.434 −47.872 −74.491 1.00 45.93 MOL1 N ATOM 861 CA ALA A 11260.852 −48.060 −74.740 1.00 41.01 MOL1 C ATOM 862 CB ALA A 112 61.090−48.142 −76.198 1.00 50.24 MOL1 C ATOM 863 C ALA A 112 61.679 −46.925−74.141 1.00 42.59 MOL1 C ATOM 864 O ALA A 112 61.250 −45.769 −74.0931.00 39.12 MOL1 O ATOM 865 N PRO A 113 62.887 −47.252 −73.665 1.00 42.21MOL1 N ATOM 866 CD PRO A 113 63.460 −48.608 −73.564 1.00 42.32 MOL1 CATOM 867 CA PRO A 113 63.777 −46.270 −73.061 1.00 37.05 MOL1 C ATOM 868CB PRO A 113 64.776 −47.138 −72.321 1.00 35.40 MOL1 C ATOM 869 CG PRO A113 64.892 −48.324 −73.215 1.00 34.46 MOL1 C ATOM 870 C PRO A 113 64.416−45.373 −74.089 1.00 41.43 MOL1 C ATOM 871 O PRO A 113 64.492 −45.715−75.271 1.00 43.93 MOL1 O ATOM 872 N THR A 114 64.857 −44.211 −73.6231.00 43.96 MOL1 N ATOM 873 CA THR A 114 65.505 −43.217 −74.465 1.0045.40 MOL1 C ATOM 874 CB THR A 114 64.862 −41.858 −74.262 1.00 42.40MOL1 C ATOM 875 OG1 THR A 114 63.582 −42.033 −73.645 1.00 50.43 MOL1 OATOM 876 CG2 THR A 114 64.661 −41.177 −75.580 1.00 47.99 MOL1 C ATOM 877C THR A 114 66.933 −43.146 −73.980 1.00 45.69 MOL1 C ATOM 878 O THR A114 67.202 −42.525 −72.955 1.00 44.29 MOL1 O ATOM 879 N VAL A 115 67.844−43.772 −74.721 1.00 49.35 MOL1 N ATOM 880 CA VAL A 115 69.248 −43.815−74.327 1.00 50.65 MOL1 C ATOM 881 CB VAL A 115 69.926 −45.069 −74.8731.00 51.06 MOL1 C ATOM 882 CG1 VAL A 115 71.027 −45.497 −73.935 1.0052.20 MOL1 C ATOM 883 CG2 VAL A 115 68.902 −46.183 −75.043 1.00 54.78MOL1 C ATOM 884 C VAL A 115 70.077 −42.608 −74.734 1.00 49.08 MOL1 CATOM 885 O VAL A 115 69.758 −41.904 −75.690 1.00 49.93 MOL1 O ATOM 886 NSER A 116 71.154 −42.390 −73.992 1.00 48.80 MOL1 N ATOM 887 CA SER A 11672.047 −41.262 −74.216 1.00 49.64 MOL1 C ATOM 888 CB SER A 116 71.497−40.025 −73.494 1.00 52.26 MOL1 C ATOM 889 OG SER A 116 70.077 −39.999−73.500 1.00 44.31 MOL1 O ATOM 890 C SER A 116 73.411 −41.610 −73.6291.00 45.36 MOL1 C ATOM 891 O SER A 116 73.510 −41.992 −72.468 1.00 42.62MOL1 O ATOM 892 N ILE A 117 74.467 −41.471 −74.413 1.00 43.99 MOL1 NATOM 893 CA ILE A 117 75.783 −41.802 −73.897 1.00 42.40 MOL1 C ATOM 894CB ILE A 117 76.410 −42.915 −74.736 1.00 34.43 MOL1 C ATOM 895 CG2 ILE A117 76.462 −42.512 −76.169 1.00 27.33 MOL1 C ATOM 896 CG1 ILE A 11777.796 −43.242 −74.217 1.00 37.61 MOL1 C ATOM 897 CD1 ILE A 117 78.356−44.492 −74.811 1.00 37.38 MOL1 C ATOM 898 C ILE A 117 76.676 −40.568−73.854 1.00 44.59 MOL1 C ATOM 899 O ILE A 117 76.660 −39.752 −74.7651.00 46.70 MOL1 O ATOM 900 N PHE A 118 77.448 −40.434 −72.783 1.00 45.25MOL1 N ATOM 901 CA PHE A 118 78.300 −39.276 −72.607 1.00 45.88 MOL1 CATOM 902 CB PHE A 118 77.759 −38.445 −71.452 1.00 48.35 MOL1 C ATOM 903CG PHE A 118 76.312 −38.114 −71.585 1.00 56.32 MOL1 C ATOM 904 CD1 PHE A118 75.353 −39.105 −71.499 1.00 69.53 MOL1 C ATOM 905 CD2 PHE A 11875.906 −36.830 −71.862 1.00 59.44 MOL1 C ATOM 906 CE1 PHE A 118 74.010−38.823 −71.695 1.00 69.87 MOL1 C ATOM 907 CE2 PHE A 118 74.572 −36.541−72.060 1.00 64.76 MOL1 C ATOM 908 CZ PHE A 118 73.622 −37.541 −71.9781.00 68.81 MOL1 C ATOM 909 C PHE A 118 79.769 −39.596 −72.366 1.00 50.89MOL1 C ATOM 910 O PHE A 118 80.110 −40.393 −71.497 1.00 54.65 MOL1 OATOM 911 N PRO A 119 80.661 −38.962 −73.142 1.00 50.77 MOL1 N ATOM 912CD PRO A 119 80.315 −38.188 −74.337 1.00 52.45 MOL1 C ATOM 913 CA PRO A119 82.109 −39.134 −73.064 1.00 46.97 MOL1 C ATOM 914 CB PRO A 11982.614 −38.430 −74.310 1.00 47.01 MOL1 C ATOM 915 CG PRO A 119 81.470−38.517 −75.244 1.00 50.48 MOL1 C ATOM 916 C PRO A 119 82.594 −38.465−71.825 1.00 44.14 MOL1 C ATOM 917 O PRO A 119 81.990 −37.524 −71.3601.00 45.15 MOL1 O ATOM 918 N PRO A 120 83.711 −38.935 −71.286 1.00 46.37MOL1 N ATOM 919 CD PRO A 120 84.547 −39.979 −71.887 1.00 35.74 MOL1 CATOM 920 CA PRO A 120 84.328 −38.406 −70.070 1.00 53.78 MOL1 C ATOM 921CB PRO A 120 85.638 −39.177 −70.002 1.00 43.37 MOL1 C ATOM 922 CG PRO A120 85.313 −40.442 −70.707 1.00 39.57 MOL1 C ATOM 923 C PRO A 120 84.537−36.883 −70.112 1.00 60.86 MOL1 C ATOM 924 O PRO A 120 85.027 −36.331−71.094 1.00 62.52 MOL1 O ATOM 925 N SER A 121 84.160 −36.202 −69.0411.00 64.67 MOL1 N ATOM 926 CA SER A 121 84.322 −34.765 −69.001 1.0066.66 MOL1 C ATOM 927 CB SER A 121 83.800 −34.230 −67.683 1.00 70.09MOL1 C ATOM 928 OG SER A 121 84.417 −34.910 −66.611 1.00 64.61 MOL1 OATOM 929 C SER A 121 85.793 −34.443 −69.125 1.00 71.01 MOL1 C ATOM 930 OSER A 121 86.617 −35.034 −68.435 1.00 71.34 MOL1 O ATOM 931 N SER A 12286.130 −33.507 −70.005 1.00 76.31 MOL1 N ATOM 932 CA SER A 122 87.529−33.127 −70.176 1.00 76.37 MOL1 C ATOM 933 CB SER A 122 87.671 −31.970−71.165 1.00 72.40 MOL1 C ATOM 934 OG SER A 122 86.954 −30.833 −70.7231.00 76.66 MOL1 O ATOM 935 C SER A 122 88.069 −32.723 −68.814 1.00 77.11MOL1 C ATOM 936 O SER A 122 89.214 −33.012 −68.484 1.00 77.76 MOL1 OATOM 937 N GLU A 123 87.234 −32.063 −68.019 1.00 78.60 MOL1 N ATOM 938CA GLU A 123 87.647 −31.656 −66.684 1.00 81.77 MOL1 C ATOM 939 CB GLU A123 86.547 −30.857 −65.968 1.00 83.15 MOL1 C ATOM 940 CG GLU A 12385.145 −31.113 −66.475 1.00 90.86 MOL1 C ATOM 941 CD GLU A 123 84.764−30.199 −67.631 1.00 96.41 MOL1 C ATOM 942 OE1 GLU A 123 84.556 −28.990−67.387 1.00 101.06 MOL1 O ATOM 943 OE2 GLU A 123 84.676 −30.682 −68.7821.00 99.78 MOL1 O ATOM 944 C GLU A 123 87.992 −32.890 −65.867 1.00 80.69MOL1 C ATOM 945 O GLU A 123 88.842 −32.835 −64.982 1.00 83.59 MOL1 OATOM 946 N GLN A 124 87.337 −34.005 −66.171 1.00 79.38 MOL1 N ATOM 947CA GLN A 124 87.586 −35.251 −65.456 1.00 78.06 MOL1 C ATOM 948 CB GLN A124 86.502 −36.281 −65.751 1.00 73.86 MOL1 C ATOM 949 CG GLN A 12486.739 −37.620 −65.071 1.00 59.63 MOL1 C ATOM 950 CD GLN A 124 85.575−38.587 −65.238 1.00 54.29 MOL1 C ATOM 951 OE1 GLN A 124 85.458 −39.551−64.480 1.00 45.01 MOL1 O ATOM 952 NE2 GLN A 124 84.713 −38.338 −66.2321.00 42.63 MOL1 N ATOM 953 C GLN A 124 88.904 −35.853 −65.857 1.00 79.64MOL1 C ATOM 954 O GLN A 124 89.715 −36.222 −65.010 1.00 81.32 MOL1 OATOM 955 N LEU A 125 89.105 −35.971 −67.162 1.00 81.92 MOL1 N ATOM 956CA LEU A 125 90.333 −36.553 −67.675 1.00 84.75 MOL1 C ATOM 957 CB LEU A125 90.366 −36.466 −69.199 1.00 77.26 MOL1 C ATOM 958 CG LEU A 12589.469 −37.507 −69.872 1.00 69.34 MOL1 C ATOM 959 CD1 LEU A 125 89.519−37.371 −71.373 1.00 68.70 MOL1 C ATOM 960 CD2 LEU A 125 89.937 −38.881−69.476 1.00 67.26 MOL1 C ATOM 961 C LEU A 125 91.567 −35.908 −67.0591.00 89.76 MOL1 C ATOM 962 O LEU A 125 92.572 −36.579 −66.826 1.00 91.29MOL1 O ATOM 963 N THR A 126 91.486 −34.614 −66.775 1.00 92.21 MOL1 NATOM 964 CA THR A 126 92.597 −33.914 −66.158 1.00 92.08 MOL1 C ATOM 965CB THR A 126 92.426 −32.407 −66.302 1.00 90.10 MOL1 C ATOM 966 OG1 THR A126 92.220 −32.088 −67.685 1.00 89.96 MOL1 O ATOM 967 CG2 THR A 12693.660 −31.685 −65.795 1.00 91.12 MOL1 C ATOM 968 C THR A 126 92.631−34.286 −64.679 1.00 94.73 MOL1 C ATOM 969 O THR A 126 92.619 −33.422−63.806 1.00 99.63 MOL1 O ATOM 970 N SER A 127 92.656 −35.589 −64.4141.00 95.33 MOL1 N ATOM 971 CA SER A 127 92.688 −36.125 −63.057 1.0096.51 MOL1 C ATOM 972 CB SER A 127 91.344 −35.912 −62.351 1.00 94.61MOL1 C ATOM 973 OG SER A 127 91.190 −34.577 −61.908 1.00 95.83 MOL1 OATOM 974 C SER A 127 92.992 −37.617 −63.098 1.00 97.65 MOL1 C ATOM 975 OSER A 127 92.757 −38.336 −62.125 1.00 97.78 MOL1 O ATOM 976 N GLY A 12893.497 −38.080 −64.237 1.00 97.27 MOL1 N ATOM 977 CA GLY A 128 93.838−39.485 −64.383 1.00 97.12 MOL1 C ATOM 978 C GLY A 128 92.659 −40.439−64.311 1.00 94.12 MOL1 C ATOM 979 O GLY A 128 92.819 −41.646 −64.0591.00 93.78 MOL1 O ATOM 980 N GLY A 129 91.468 −39.902 −64.533 1.00 87.00MOL1 N ATOM 981 CA GLY A 129 90.285 −40.734 −64.495 1.00 78.41 MOL1 CATOM 982 C GLY A 129 89.327 −40.361 −65.599 1.00 69.02 MOL1 C ATOM 983 OGLY A 129 89.384 −39.249 −66.119 1.00 70.34 MOL1 O ATOM 984 N ALA A 13088.448 −41.293 −65.954 1.00 60.37 MOL1 N ATOM 985 CA ALA A 130 87.456−41.070 −66.999 1.00 52.28 MOL1 C ATOM 986 CB ALA A 130 88.084 −41.260−68.331 1.00 46.85 MOL1 C ATOM 987 C ALA A 130 86.258 −42.007 −66.8531.00 48.05 MOL1 C ATOM 988 O ALA A 130 86.424 −43.213 −66.694 1.00 41.74MOL1 O ATOM 989 N SER A 131 85.055 −41.441 −66.925 1.00 43.74 MOL1 NATOM 990 CA SER A 131 83.834 −42.207 −66.780 1.00 40.24 MOL1 C ATOM 991CB SER A 131 83.094 −41.778 −65.526 1.00 31.45 MOL1 C ATOM 992 OG SER A131 83.790 −42.166 −64.358 1.00 41.51 MOL1 O ATOM 993 C SER A 131 82.922−41.984 −67.950 1.00 43.06 MOL1 C ATOM 994 O SER A 131 82.745 −40.851−68.375 1.00 52.63 MOL1 O ATOM 995 N VAL A 132 82.336 −43.063 −68.4651.00 41.32 MOL1 N ATOM 996 CA VAL A 132 81.400 −42.971 −69.573 1.0037.90 MOL1 C ATOM 997 CB VAL A 132 81.650 −44.038 −70.600 1.00 38.60MOL1 C ATOM 998 CG1 VAL A 132 80.690 −43.865 −71.747 1.00 40.62 MOL1 CATOM 999 CG2 VAL A 132 83.072 −43.969 −71.077 1.00 42.83 MOL1 C ATOM1000 C VAL A 132 80.015 −43.197 −69.012 1.00 35.03 MOL1 C ATOM 1001 OVAL A 132 79.745 −44.242 −68.467 1.00 33.79 MOL1 O ATOM 1002 N VAL A 13379.140 −42.210 −69.143 1.00 40.22 MOL1 N ATOM 1003 CA VAL A 133 77.797−42.328 −68.610 1.00 39.25 MOL1 C ATOM 1004 CB VAL A 133 77.416 −41.107−67.774 1.00 31.40 MOL1 C ATOM 1005 CG1 VAL A 133 76.000 −41.233 −67.2971.00 26.08 MOL1 C ATOM 1006 CG2 VAL A 133 78.331 −41.007 −66.577 1.0035.57 MOL1 C ATOM 1007 C VAL A 133 76.753 −42.526 −69.676 1.00 41.09MOL1 C ATOM 1008 O VAL A 133 76.788 −41.902 −70.722 1.00 40.39 MOL1 OATOM 1009 N CYS A 134 75.817 −43.417 −69.386 1.00 45.80 MOL1 N ATOM 1010CA CYS A 134 74.738 −43.733 −70.295 1.00 43.25 MOL1 C ATOM 1011 C CYS A134 73.434 −43.691 −69.513 1.00 44.02 MOL1 C ATOM 1012 O CYS A 13473.291 −44.369 −68.500 1.00 46.19 MOL1 O ATOM 1013 CB CYS A 134 74.958−45.124 −70.877 1.00 46.44 MOL1 C ATOM 1014 SG CYS A 134 73.902 −45.560−72.287 1.00 48.44 MOL1 S ATOM 1015 N PHE A 135 72.498 −42.868 −69.9791.00 43.05 MOL1 N ATOM 1016 CA PHE A 135 71.191 −42.718 −69.349 1.0035.78 MOL1 C ATOM 1017 CB PHE A 135 70.779 −41.247 −69.295 1.00 23.02MOL1 C ATOM 1018 CG PHE A 135 71.596 −40.410 −68.344 1.00 28.31 MOL1 CATOM 1019 CD1 PHE A 135 72.291 −39.297 −68.797 1.00 23.76 MOL1 C ATOM1020 CD2 PHE A 135 71.654 −40.718 −66.987 1.00 30.91 MOL1 C ATOM 1021CE1 PHE A 135 73.026 −38.503 −67.912 1.00 23.81 MOL1 C ATOM 1022 CE2 PHEA 135 72.390 −39.927 −66.095 1.00 22.88 MOL1 C ATOM 1023 CZ PHE A 13573.073 −38.822 −66.560 1.00 23.34 MOL1 C ATOM 1024 C PHE A 135 70.140−43.456 −70.146 1.00 37.06 MOL1 C ATOM 1025 O PHE A 135 70.066 −43.308−71.360 1.00 37.16 MOL1 O ATOM 1026 N LEU A 136 69.336 −44.260 −69.4621.00 39.36 MOL1 N ATOM 1027 CA LEU A 136 68.239 −44.977 −70.100 1.0042.77 MOL1 C ATOM 1028 CB LEU A 136 68.362 −46.463 −69.849 1.00 43.75MOL1 C ATOM 1029 CG LEU A 136 69.589 −47.133 −70.444 1.00 45.83 MOL1 CATOM 1030 CD1 LEU A 136 70.846 −46.535 −69.873 1.00 41.28 MOL1 C ATOM1031 CD2 LEU A 136 69.511 −48.610 −70.142 1.00 45.54 MOL1 C ATOM 1032 CLEU A 136 67.016 −44.426 −69.377 1.00 47.65 MOL1 C ATOM 1033 O LEU A 13666.652 −44.907 −68.307 1.00 52.16 MOL1 O ATOM 1034 N ASN A 137 66.387−43.410 −69.962 1.00 49.66 MOL1 N ATOM 1035 CA ASN A 137 65.253 −42.744−69.335 1.00 46.07 MOL1 C ATOM 1036 CB ASN A 137 65.383 −41.248 −69.4931.00 45.12 MOL1 C ATOM 1037 CG ASN A 137 66.595 −40.712 −68.824 1.0051.28 MOL1 C ATOM 1038 OD1 ASN A 137 66.810 −40.958 −67.644 1.00 50.62MOL1 O ATOM 1039 ND2 ASN A 137 67.406 −39.961 −69.568 1.00 59.22 MOL1 NATOM 1040 C ASN A 137 63.858 −43.092 −69.770 1.00 48.96 MOL1 C ATOM 1041O ASN A 137 63.613 −43.436 −70.922 1.00 55.68 MOL1 O ATOM 1042 N ASN A138 62.949 −42.948 −68.811 1.00 49.39 MOL1 N ATOM 1043 CA ASN A 13861.517 −43.167 −68.967 1.00 45.92 MOL1 C ATOM 1044 CB ASN A 138 60.885−41.929 −69.616 1.00 50.81 MOL1 C ATOM 1045 CG ASN A 138 61.317 −40.624−68.940 1.00 59.24 MOL1 C ATOM 1046 OD1 ASN A 138 61.087 −40.422 −67.7431.00 58.73 MOL1 O ATOM 1047 ND2 ASN A 138 61.952 −39.735 −69.711 1.0065.58 MOL1 N ATOM 1048 C ASN A 138 61.101 −44.406 −69.721 1.00 38.79MOL1 C ATOM 1049 O ASN A 138 60.709 −44.329 −70.884 1.00 47.05 MOL1 OATOM 1050 N PHE A 139 61.163 −45.550 −69.064 1.00 29.02 MOL1 N ATOM 1051CA PHE A 139 60.772 −46.773 −69.735 1.00 37.47 MOL1 C ATOM 1052 CB PHE A139 62.024 −47.555 −70.150 1.00 33.86 MOL1 C ATOM 1053 CG PHE A 13962.954 −47.876 −69.017 1.00 37.51 MOL1 C ATOM 1054 CD1 PHE A 139 62.819−49.061 −68.301 1.00 32.17 MOL1 C ATOM 1055 CD2 PHE A 139 63.973 −46.996−68.668 1.00 37.88 MOL1 C ATOM 1056 CE1 PHE A 139 63.678 −49.355 −67.2671.00 32.92 MOL1 C ATOM 1057 CE2 PHE A 139 64.843 −47.288 −67.628 1.0031.70 MOL1 C ATOM 1058 CZ PHE A 139 64.693 −48.465 −66.932 1.00 35.11MOL1 C ATOM 1059 C PHE A 139 59.847 −47.623 −68.879 1.00 40.23 MOL1 CATOM 1060 O PHE A 139 59.618 −47.316 −67.713 1.00 45.12 MOL1 O ATOM 1061N TYR A 140 59.296 −48.680 −69.466 1.00 39.12 MOL1 N ATOM 1062 CA TYR A140 58.406 −49.571 −68.740 1.00 34.87 MOL1 C ATOM 1063 CB TYR A 14057.048 −48.911 −68.582 1.00 32.07 MOL1 C ATOM 1064 CG TYR A 140 56.178−49.612 −67.580 1.00 32.18 MOL1 C ATOM 1065 CD1 TYR A 140 56.275 −49.319−66.238 1.00 29.24 MOL1 C ATOM 1066 CE1 TYR A 140 55.558 −50.017 −65.3121.00 32.32 MOL1 C ATOM 1067 CD2 TYR A 140 55.326 −50.623 −67.964 1.0028.25 MOL1 C ATOM 1068 CE2 TYR A 140 54.609 −51.325 −67.037 1.00 26.33MOL1 C ATOM 1069 CZ TYR A 140 54.732 −51.022 −65.719 1.00 25.07 MOL1 CATOM 1070 OH TYR A 140 54.060 −51.756 −64.783 1.00 36.48 MOL1 O ATOM1071 C TYR A 140 58.248 −50.879 −69.507 1.00 34.41 MOL1 C ATOM 1072 OTYR A 140 58.082 −50.874 −70.722 1.00 42.98 MOL1 O ATOM 1073 N PRO A 14158.279 −52.017 −68.814 1.00 29.07 MOL1 N ATOM 1074 CD PRO A 141 57.905−53.293 −69.443 1.00 29.25 MOL1 C ATOM 1075 CA PRO A 141 58.450 −52.164−67.372 1.00 34.44 MOL1 C ATOM 1076 CB PRO A 141 58.049 −53.616 −67.1191.00 38.89 MOL1 C ATOM 1077 CG PRO A 141 58.319 −54.293 −68.420 1.0030.33 MOL1 C ATOM 1078 C PRO A 141 59.856 −51.847 −66.909 1.00 40.54MOL1 C ATOM 1079 O PRO A 141 60.685 −51.408 −67.704 1.00 43.11 MOL1 OATOM 1080 N LYS A 142 60.130 −52.076 −65.626 1.00 44.63 MOL1 N ATOM 1081CA LYS A 142 61.445 −51.758 −65.077 1.00 48.29 MOL1 C ATOM 1082 CB LYS A142 61.361 −51.566 −63.557 1.00 49.32 MOL1 C ATOM 1083 CG LYS A 14260.855 −52.783 −62.805 1.00 65.69 MOL1 C ATOM 1084 CD LYS A 142 60.636−52.527 −61.309 1.00 65.89 MOL1 C ATOM 1085 CE LYS A 142 60.122 −53.799−60.621 1.00 70.08 MOL1 C ATOM 1086 NZ LYS A 142 59.673 −53.597 −59.2151.00 70.23 MOL1 N ATOM 1087 C LYS A 142 62.532 −52.758 −65.417 1.0048.98 MOL1 C ATOM 1088 O LYS A 142 63.711 −52.414 −65.400 1.00 49.13MOL1 O ATOM 1089 N ASP A 143 62.146 −53.991 −65.722 1.00 49.38 MOL1 NATOM 1090 CA ASP A 143 63.121 −55.004 −66.072 1.00 51.81 MOL1 C ATOM1091 CB ASP A 143 62.405 −56.349 −66.242 1.00 59.75 MOL1 C ATOM 1092 CGASP A 143 63.287 −57.415 −66.886 1.00 72.97 MOL1 C ATOM 1093 OD1 ASP A143 63.166 −57.631 −68.120 1.00 77.86 MOL1 O ATOM 1094 OD2 ASP A 14364.103 −58.033 −66.160 1.00 77.34 MOL1 O ATOM 1095 C ASP A 143 63.815−54.575 −67.358 1.00 47.42 MOL1 C ATOM 1096 O ASP A 143 63.174 −54.496−68.406 1.00 53.81 MOL1 O ATOM 1097 N ILE A 144 65.109 −54.274 −67.2801.00 41.26 MOL1 N ATOM 1098 CA ILE A 144 65.866 −53.860 −68.458 1.0038.16 MOL1 C ATOM 1099 CB ILE A 144 65.852 −52.337 −68.629 1.00 30.07MOL1 C ATOM 1100 CG2 ILE A 144 66.828 −51.680 −67.685 1.00 20.04 MOL1 CATOM 1101 CG1 ILE A 144 66.262 −51.973 −70.045 1.00 30.24 MOL1 C ATOM1102 CD1 ILE A 144 66.502 −50.492 −70.220 1.00 31.80 MOL1 C ATOM 1103 CILE A 144 67.289 −54.332 −68.292 1.00 46.52 MOL1 C ATOM 1104 O ILE A 14467.712 −54.630 −67.178 1.00 60.07 MOL1 O ATOM 1105 N ASN A 145 68.040−54.386 −69.383 1.00 49.45 MOL1 N ATOM 1106 CA ASN A 145 69.409 −54.870−69.312 1.00 52.69 MOL1 C ATOM 1107 CB ASN A 145 69.427 −56.322 −69.7981.00 60.84 MOL1 C ATOM 1108 CG ASN A 145 70.821 −56.857 −69.996 1.0070.72 MOL1 C ATOM 1109 OD1 ASN A 145 71.513 −57.186 −69.028 1.00 81.80MOL1 O ATOM 1110 ND2 ASN A 145 71.252 −56.945 −71.255 1.00 68.81 MOL1 NATOM 1111 C ASN A 145 70.379 −54.037 −70.131 1.00 46.40 MOL1 C ATOM 1112O ASN A 145 70.174 −53.853 −71.309 1.00 50.05 MOL1 O ATOM 1113 N VAL A146 71.440 −53.549 −69.501 1.00 45.51 MOL1 N ATOM 1114 CA VAL A 14672.448 −52.755 −70.183 1.00 40.80 MOL1 C ATOM 1115 CB VAL A 146 72.802−51.540 −69.377 1.00 33.02 MOL1 C ATOM 1116 CG1 VAL A 146 73.935 −50.820−70.011 1.00 39.18 MOL1 C ATOM 1117 CG2 VAL A 146 71.634 −50.644 −69.3071.00 37.76 MOL1 C ATOM 1118 C VAL A 146 73.728 −53.539 −70.413 1.0045.59 MOL1 C ATOM 1119 O VAL A 146 74.178 −54.270 −69.537 1.00 53.43MOL1 O ATOM 1120 N LYS A 147 74.312 −53.381 −71.595 1.00 45.17 MOL1 NATOM 1121 CA LYS A 147 75.546 −54.062 −71.934 1.00 41.57 MOL1 C ATOM1122 CB LYS A 147 75.288 −55.121 −73.003 1.00 35.13 MOL1 C ATOM 1123 CGLYS A 147 76.499 −55.994 −73.323 1.00 48.78 MOL1 C ATOM 1124 CD LYS A147 76.275 −56.963 −74.494 1.00 56.43 MOL1 C ATOM 1125 CE LYS A 14775.326 −58.104 −74.130 1.00 63.35 MOL1 C ATOM 1126 NZ LYS A 147 74.942−58.897 −75.338 1.00 68.95 MOL1 N ATOM 1127 C LYS A 147 76.536 −53.032−72.447 1.00 42.36 MOL1 C ATOM 1128 O LYS A 147 76.182 −52.211 −73.2781.00 49.48 MOL1 O ATOM 1129 N TRP A 148 77.764 −53.046 −71.925 1.0043.56 MOL1 N ATOM 1130 CA TRP A 148 78.794 −52.119 −72.386 1.00 36.05MOL1 C ATOM 1131 CB TRP A 148 79.568 −51.540 −71.235 1.00 19.03 MOL1 CATOM 1132 CG TRP A 148 78.816 −50.550 −70.479 1.00 23.02 MOL1 C ATOM1133 CD2 TRP A 148 78.824 −49.142 −70.685 1.00 19.65 MOL1 C ATOM 1134CE2 TRP A 148 77.996 −48.575 −69.713 1.00 17.44 MOL1 C ATOM 1135 CE3 TRPA 148 79.457 −48.307 −71.596 1.00 23.18 MOL1 C ATOM 1136 CD1 TRP A 14878.002 −50.779 −69.421 1.00 26.45 MOL1 C ATOM 1137 NE1 TRP A 148 77.503−49.595 −68.946 1.00 19.46 MOL1 N ATOM 1138 CZ2 TRP A 148 77.784 −47.217−69.627 1.00 20.36 MOL1 C ATOM 1139 CZ3 TRP A 148 79.246 −46.958 −71.5101.00 23.54 MOL1 C ATOM 1140 CH2 TRP A 148 78.418 −46.424 −70.536 1.0028.60 MOL1 C ATOM 1141 C TRP A 148 79.769 −52.794 −73.326 1.00 33.56MOL1 C ATOM 1142 O TRP A 148 80.045 −53.971 −73.202 1.00 37.20 MOL1 OATOM 1143 N LYS A 149 80.295 −52.042 −74.274 1.00 36.11 MOL1 N ATOM 1144CA LYS A 149 81.232 −52.608 −75.215 1.00 39.83 MOL1 C ATOM 1145 CB LYS A149 80.489 −53.080 −76.462 1.00 26.76 MOL1 C ATOM 1146 CG LYS A 14979.504 −54.190 −76.223 1.00 21.05 MOL1 C ATOM 1147 CD LYS A 149 79.086−54.833 −77.556 1.00 31.10 MOL1 C ATOM 1148 CE LYS A 149 78.071 −55.977−77.358 1.00 37.33 MOL1 C ATOM 1149 NZ LYS A 149 77.637 −56.634 −78.6361.00 42.65 MOL1 N ATOM 1150 C LYS A 149 82.358 −51.669 −75.624 1.0047.29 MOL1 C ATOM 1151 O LYS A 149 82.118 −50.633 −76.245 1.00 55.61MOL1 O ATOM 1152 N ILE A 150 83.590 −52.028 −75.278 1.00 49.76 MOL1 NATOM 1153 CA ILE A 150 84.721 −51.210 −75.683 1.00 52.87 MOL1 C ATOM1154 CB ILE A 150 85.764 −51.046 −74.605 1.00 45.48 MOL1 C ATOM 1155 CG2ILE A 150 86.757 −50.004 −75.057 1.00 38.52 MOL1 C ATOM 1156 CG1 ILE A150 85.114 −50.591 −73.302 1.00 43.30 MOL1 C ATOM 1157 CD1 ILE A 15086.118 −50.230 −72.233 1.00 45.01 MOL1 C ATOM 1158 C ILE A 150 85.389−51.861 −76.873 1.00 56.06 MOL1 C ATOM 1159 O ILE A 150 85.836 −52.997−76.810 1.00 61.44 MOL1 O ATOM 1160 N ASP A 151 85.444 −51.132 −77.9711.00 59.45 MOL1 N ATOM 1161 CA ASP A 151 86.049 −51.648 −79.183 1.0057.43 MOL1 C ATOM 1162 CB ASP A 151 87.559 −51.826 −79.013 1.00 55.63MOL1 C ATOM 1163 CG ASP A 151 88.340 −50.527 −79.172 1.00 55.29 MOL1 CATOM 1164 OD1 ASP A 151 87.733 −49.459 −79.419 1.00 54.09 MOL1 O ATOM1165 OD2 ASP A 151 89.582 −50.588 −79.050 1.00 55.18 MOL1 O ATOM 1166 CASP A 151 85.441 −52.975 −79.593 1.00 52.93 MOL1 C ATOM 1167 O ASP A 15186.107 −53.801 −80.190 1.00 56.66 MOL1 O ATOM 1168 N GLY A 152 84.183−53.193 −79.252 1.00 52.23 MOL1 N ATOM 1169 CA GLY A 152 83.534 −54.413−79.674 1.00 56.75 MOL1 C ATOM 1170 C GLY A 152 83.393 −55.515 −78.6641.00 59.09 MOL1 C ATOM 1171 O GLY A 152 82.607 −56.431 −78.866 1.0067.69 MOL1 O ATOM 1172 N SER A 153 84.137 −55.438 −77.574 1.00 58.80MOL1 N ATOM 1173 CA SER A 153 84.077 −56.481 −76.561 1.00 52.16 MOL1 CATOM 1174 CB SER A 153 85.490 −56.860 −76.129 1.00 50.58 MOL1 C ATOM1175 OG SER A 153 86.242 −57.306 −77.239 1.00 53.22 MOL1 O ATOM 1176 CSER A 153 83.280 −56.051 −75.353 1.00 46.06 MOL1 C ATOM 1177 O SER A 15383.348 −54.899 −74.956 1.00 40.77 MOL1 O ATOM 1178 N GLU A 154 82.547−56.991 −74.764 1.00 42.48 MOL1 N ATOM 1179 CA GLU A 154 81.719 −56.722−73.596 1.00 37.93 MOL1 C ATOM 1180 CB GLU A 154 80.770 −57.871 −73.3721.00 42.48 MOL1 C ATOM 1181 CG GLU A 154 79.710 −57.630 −72.329 1.0056.00 MOL1 C ATOM 1182 CD GLU A 154 78.833 −58.858 −72.137 1.00 68.87MOL1 C ATOM 1183 OE1 GLU A 154 78.314 −59.374 −73.160 1.00 73.99 MOL1 OATOM 1184 OE2 GLU A 154 78.670 −59.307 −70.975 1.00 72.26 MOL1 O ATOM1185 C GLU A 154 82.513 −56.492 −72.341 1.00 36.65 MOL1 C ATOM 1186 OGLU A 154 83.396 −57.253 −72.001 1.00 40.37 MOL1 O ATOM 1187 N ARG A 15582.169 −55.432 −71.637 1.00 43.14 MOL1 N ATOM 1188 CA ARG A 155 82.845−55.045 −70.407 1.00 51.06 MOL1 C ATOM 1189 CB ARG A 155 83.349 −53.614−70.570 1.00 46.94 MOL1 C ATOM 1190 CG ARG A 155 84.389 −53.150 −69.5811.00 57.47 MOL1 C ATOM 1191 CD ARG A 155 85.765 −53.690 −69.926 1.0064.96 MOL1 C ATOM 1192 NE ARG A 155 86.819 −52.963 −69.222 1.00 71.72MOL1 N ATOM 1193 CZ ARG A 155 86.825 −52.725 −67.913 1.00 69.39 MOL1 CATOM 1194 NH1 ARG A 155 85.831 −53.150 −67.151 1.00 71.63 MOL1 N ATOM1195 NH2 ARG A 155 87.837 −52.072 −67.365 1.00 66.54 MOL1 N ATOM 1196 CARG A 155 81.840 −55.110 −69.253 1.00 53.67 MOL1 C ATOM 1197 O ARG A 15580.711 −54.638 −69.390 1.00 55.24 MOL1 O ATOM 1198 N GLN A 156 82.231−55.696 −68.124 1.00 55.04 MOL1 N ATOM 1199 CA GLN A 156 81.323 −55.783−66.986 1.00 58.54 MOL1 C ATOM 1200 CB GLN A 156 81.004 −57.229 −66.6151.00 61.59 MOL1 C ATOM 1201 CG GLN A 156 80.438 −58.075 −67.737 1.0079.88 MOL1 C ATOM 1202 CD GLN A 156 79.966 −59.440 −67.262 1.00 87.41MOL1 C ATOM 1203 OE1 GLN A 156 80.640 −60.102 −66.468 1.00 93.29 MOL1 OATOM 1204 NE2 GLN A 156 78.805 −59.873 −67.755 1.00 89.51 MOL1 N ATOM1205 C GLN A 156 81.928 −55.130 −65.778 1.00 59.64 MOL1 C ATOM 1206 OGLN A 156 81.261 −54.408 −65.058 1.00 65.86 MOL1 O ATOM 1207 N ASN A 15783.199 −55.395 −65.546 1.00 63.25 MOL1 N ATOM 1208 CA ASN A 157 83.864−54.823 −64.394 1.00 71.10 MOL1 C ATOM 1209 CB ASN A 157 85.283 −55.394−64.247 1.00 86.83 MOL1 C ATOM 1210 CG ASN A 157 85.302 −56.760 −63.5681.00 98.45 MOL1 C ATOM 1211 OD1 ASN A 157 84.663 −57.717 −64.031 1.00103.27 MOL1 O ATOM 1212 ND2 ASN A 157 86.042 −56.857 −62.463 1.00 102.54MOL1 N ATOM 1213 C ASN A 157 83.936 −53.316 −64.490 1.00 65.06 MOL1 CATOM 1214 O ASN A 157 84.121 −52.756 −65.555 1.00 58.63 MOL1 O ATOM 1215N GLY A 158 83.781 −52.661 −63.355 1.00 66.40 MOL1 N ATOM 1216 CA GLY A158 83.860 −51.222 −63.340 1.00 65.80 MOL1 C ATOM 1217 C GLY A 15882.582 −50.549 −63.763 1.00 60.11 MOL1 C ATOM 1218 O GLY A 158 82.597−49.387 −64.163 1.00 66.36 MOL1 O ATOM 1219 N VAL A 159 81.470 −51.268−63.691 1.00 52.44 MOL1 N ATOM 1220 CA VAL A 159 80.195 −50.670 −64.0601.00 41.97 MOL1 C ATOM 1221 CB VAL A 159 79.426 −51.493 −65.090 1.0027.90 MOL1 C ATOM 1222 CG1 VAL A 159 78.090 −50.867 −65.301 1.00 28.67MOL1 C ATOM 1223 CG2 VAL A 159 80.148 −51.523 −66.408 1.00 15.19 MOL1 CATOM 1224 C VAL A 159 79.286 −50.500 −62.862 1.00 42.76 MOL1 C ATOM 1225O VAL A 159 79.097 −51.424 −62.075 1.00 48.52 MOL1 O ATOM 1226 N LEU A160 78.725 −49.307 −62.730 1.00 42.26 MOL1 N ATOM 1227 CA LEU A 16077.820 −48.994 −61.632 1.00 45.51 MOL1 C ATOM 1228 CB LEU A 160 78.399−47.914 −60.728 1.00 40.24 MOL1 C ATOM 1229 CG LEU A 160 79.395 −48.483−59.731 1.00 46.31 MOL1 C ATOM 1230 CD1 LEU A 160 79.255 −47.725 −58.4291.00 43.90 MOL1 C ATOM 1231 CD2 LEU A 160 79.122 −49.969 −59.515 1.0038.91 MOL1 C ATOM 1232 C LEU A 160 76.470 −48.517 −62.121 1.00 46.77MOL1 C ATOM 1233 O LEU A 160 76.371 −47.542 −62.854 1.00 45.73 MOL1 OATOM 1234 N ASN A 161 75.421 −49.198 −61.684 1.00 48.44 MOL1 N ATOM 1235CA ASN A 161 74.076 −48.846 −62.090 1.00 41.68 MOL1 C ATOM 1236 CB ASN A161 73.372 −50.060 −62.683 1.00 31.00 MOL1 C ATOM 1237 CG ASN A 16174.031 −50.548 −63.939 1.00 33.80 MOL1 C ATOM 1238 OD1 ASN A 161 74.470−49.752 −64.760 1.00 44.82 MOL1 O ATOM 1239 ND2 ASN A 161 74.098 −51.859−64.109 1.00 31.39 MOL1 N ATOM 1240 C ASN A 161 73.239 −48.328 −60.9531.00 40.97 MOL1 C ATOM 1241 O ASN A 161 73.439 −48.691 −59.800 1.0048.68 MOL1 O ATOM 1242 N SER A 162 72.284 −47.483 −61.299 1.00 42.52MOL1 N ATOM 1243 CA SER A 162 71.360 −46.920 −60.335 1.00 47.61 MOL1 CATOM 1244 CB SER A 162 71.866 −45.590 −59.816 1.00 44.97 MOL1 C ATOM1245 OG SER A 162 70.996 −45.115 −58.808 1.00 56.75 MOL1 O ATOM 1246 CSER A 162 70.011 −46.692 −60.991 1.00 51.05 MOL1 C ATOM 1247 O SER A 16269.925 −45.990 −61.995 1.00 52.94 MOL1 O ATOM 1248 N TRP A 163 68.958−47.279 −60.426 1.00 53.80 MOL1 N ATOM 1249 CA TRP A 163 67.607 −47.112−60.970 1.00 56.76 MOL1 C ATOM 1250 CB TRP A 163 66.916 −48.468 −61.1051.00 56.83 MOL1 C ATOM 1251 CG TRP A 163 67.638 −49.460 −61.963 1.0071.33 MOL1 C ATOM 1252 CD2 TRP A 163 68.714 −50.316 −61.561 1.00 75.62MOL1 C ATOM 1253 CE2 TRP A 163 69.028 −51.141 −62.663 1.00 74.63 MOL1 CATOM 1254 CE3 TRP A 163 69.438 −50.468 −60.375 1.00 82.34 MOL1 C ATOM1255 CD1 TRP A 163 67.359 −49.785 −63.259 1.00 73.47 MOL1 C ATOM 1256NE1 TRP A 163 68.188 −50.798 −63.687 1.00 71.93 MOL1 N ATOM 1257 CZ2 TRPA 163 70.031 −52.104 −62.614 1.00 85.23 MOL1 C ATOM 1258 CZ3 TRP A 16370.439 −51.430 −60.326 1.00 90.96 MOL1 C ATOM 1259 CH2 TRP A 163 70.725−52.236 −61.440 1.00 91.71 MOL1 C ATOM 1260 C TRP A 163 66.737 −46.208−60.085 1.00 55.98 MOL1 C ATOM 1261 O TRP A 163 66.921 −46.138 −58.8731.00 59.76 MOL1 O ATOM 1262 N THR A 164 65.780 −45.518 −60.689 1.0055.09 MOL1 N ATOM 1263 CA THR A 164 64.887 −44.652 −59.925 1.00 54.84MOL1 C ATOM 1264 CB THR A 164 64.590 −43.356 −60.667 1.00 52.35 MOL1 CATOM 1265 OG1 THR A 164 63.390 −43.517 −61.435 1.00 50.16 MOL1 O ATOM1266 CG2 THR A 164 65.724 −43.016 −61.605 1.00 46.71 MOL1 C ATOM 1267 CTHR A 164 63.543 −45.353 −59.692 1.00 59.43 MOL1 C ATOM 1268 O THR A 16463.308 −46.466 −60.169 1.00 58.45 MOL1 O ATOM 1269 N ASP A 165 62.653−44.688 −58.970 1.00 62.09 MOL1 N ATOM 1270 CA ASP A 165 61.343 −45.251−58.674 1.00 66.67 MOL1 C ATOM 1271 CB ASP A 165 60.917 −44.820 −57.2801.00 80.07 MOL1 C ATOM 1272 CG ASP A 165 62.003 −45.043 −56.252 1.0092.52 MOL1 C ATOM 1273 OD1 ASP A 165 62.051 −46.153 −55.671 1.00 95.82MOL1 O ATOM 1274 OD2 ASP A 165 62.817 −44.109 −56.044 1.00 99.11 MOL1 OATOM 1275 C ASP A 165 60.324 −44.762 −59.688 1.00 63.72 MOL1 C ATOM 1276O ASP A 165 60.561 −43.785 −60.393 1.00 66.68 MOL1 O ATOM 1277 N GLN A166 59.182 −45.425 −59.754 1.00 56.44 MOL1 N ATOM 1278 CA GLN A 16658.178 −45.033 −60.713 1.00 58.67 MOL1 C ATOM 1279 CB GLN A 166 56.908−45.819 −60.432 1.00 59.19 MOL1 C ATOM 1280 CG GLN A 166 56.084 −46.112−61.663 1.00 58.86 MOL1 C ATOM 1281 CD GLN A 166 55.394 −47.459 −61.5811.00 64.40 MOL1 C ATOM 1282 OE1 GLN A 166 55.010 −47.911 −60.499 1.0064.45 MOL1 O ATOM 1283 NE2 GLN A 166 55.223 −48.104 −62.726 1.00 66.99MOL1 N ATOM 1284 C GLN A 166 57.950 −43.520 −60.653 1.00 62.82 MOL1 CATOM 1285 O GLN A 166 57.456 −42.996 −59.658 1.00 68.37 MOL1 O ATOM 1286N ASP A 167 58.342 −42.816 −61.714 1.00 65.41 MOL1 N ATOM 1287 CA ASP A167 58.188 −41.364 −61.760 1.00 66.30 MOL1 C ATOM 1288 CB ASP A 16758.740 −40.756 −63.042 1.00 70.81 MOL1 C ATOM 1289 CG ASP A 167 58.354−39.276 −63.197 1.00 72.23 MOL1 C ATOM 1290 OD1 ASP A 167 58.940 −38.401−62.506 1.00 73.65 MOL1 O ATOM 1291 OD2 ASP A 167 57.451 −38.994 −64.0121.00 68.65 MOL1 O ATOM 1292 C ASP A 167 56.749 −40.953 −61.658 1.0065.57 MOL1 C ATOM 1293 O ASP A 167 55.985 −41.154 −62.588 1.00 64.53MOL1 O ATOM 1294 N SER A 168 56.411 −40.346 −60.523 1.00 73.23 MOL1 NATOM 1295 CA SER A 168 55.066 −39.872 −60.208 1.00 74.94 MOL1 C ATOM1296 CB SER A 168 55.128 −38.780 −59.149 1.00 71.48 MOL1 C ATOM 1297 OGSER A 168 55.701 −37.605 −59.694 1.00 75.17 MOL1 O ATOM 1298 C SER A 16854.254 −39.353 −61.387 1.00 79.14 MOL1 C ATOM 1299 O SER A 168 53.053−39.603 −61.455 1.00 84.23 MOL1 O ATOM 1300 N LYS A 169 54.880 −38.629−62.311 1.00 80.12 MOL1 N ATOM 1301 CA LYS A 169 54.130 −38.123 −63.4551.00 80.42 MOL1 C ATOM 1302 CB LYS A 169 54.921 −37.044 −64.185 1.0084.94 MOL1 C ATOM 1303 CG LYS A 169 55.039 −35.736 −63.406 1.00 94.72MOL1 C ATOM 1304 CD LYS A 169 53.685 −35.073 −63.163 1.00 98.23 MOL1 CATOM 1305 CE LYS A 169 53.842 −33.610 −62.697 1.00 102.08 MOL1 C ATOM1306 NZ LYS A 169 54.350 −32.673 −63.761 1.00 97.72 MOL1 N ATOM 1307 CLYS A 169 53.656 −39.208 −64.441 1.00 80.54 MOL1 C ATOM 1308 O LYS A 16952.453 −39.429 −64.560 1.00 83.84 MOL1 O ATOM 1309 N ASP A 170 54.568−39.900 −65.126 1.00 72.17 MOL1 N ATOM 1310 CA ASP A 170 54.145 −40.923−66.077 1.00 61.39 MOL1 C ATOM 1311 CB ASP A 170 54.832 −40.683 −67.4011.00 59.48 MOL1 C ATOM 1312 CG ASP A 170 56.303 −40.674 −67.257 1.0059.53 MOL1 C ATOM 1313 OD1 ASP A 170 57.002 −40.408 −68.264 1.00 63.71MOL1 O ATOM 1314 OD2 ASP A 170 56.740 −40.942 −66.114 1.00 48.77 MOL1 OATOM 1315 C ASP A 170 54.357 −42.372 −65.631 1.00 56.39 MOL1 C ATOM 1316O ASP A 170 54.340 −43.301 −66.436 1.00 56.20 MOL1 O ATOM 1317 N SER A171 54.542 −42.567 −64.340 1.00 52.36 MOL1 N ATOM 1318 CA SER A 17154.718 −43.905 −63.795 1.00 54.88 MOL1 C ATOM 1319 CB SER A 171 53.345−44.582 −63.697 1.00 48.11 MOL1 C ATOM 1320 OG SER A 171 52.491 −43.858−62.823 1.00 43.01 MOL1 O ATOM 1321 C SER A 171 55.730 −44.828 −64.5101.00 55.50 MOL1 C ATOM 1322 O SER A 171 55.613 −46.054 −64.443 1.0051.45 MOL1 O ATOM 1323 N THR A 172 56.728 −44.230 −65.163 1.00 55.06MOL1 N ATOM 1324 CA THR A 172 57.784 −44.968 −65.872 1.00 55.45 MOL1 CATOM 1325 CB THR A 172 58.251 −44.191 −67.076 1.00 55.67 MOL1 C ATOM1326 OG1 THR A 172 58.701 −42.897 −66.648 1.00 59.46 MOL1 O ATOM 1327CG2 THR A 172 57.131 −44.038 −68.061 1.00 58.93 MOL1 C ATOM 1328 C THR A172 59.015 −45.158 −64.982 1.00 55.74 MOL1 C ATOM 1329 O THR A 17258.996 −44.796 −63.817 1.00 63.90 MOL1 O ATOM 1330 N TYR A 173 60.085−45.727 −65.526 1.00 52.56 MOL1 N ATOM 1331 CA TYR A 173 61.307 −45.895−64.750 1.00 50.26 MOL1 C ATOM 1332 CB TYR A 173 61.607 −47.367 −64.5091.00 43.79 MOL1 C ATOM 1333 CG TYR A 173 60.621 −48.061 −63.605 1.0043.50 MOL1 C ATOM 1334 CD1 TYR A 173 59.493 −48.681 −64.113 1.00 44.80MOL1 C ATOM 1335 CE1 TYR A 173 58.604 −49.346 −63.278 1.00 45.59 MOL1 CATOM 1336 CD2 TYR A 173 60.831 −48.117 −62.239 1.00 44.97 MOL1 C ATOM1337 CE2 TYR A 173 59.945 −48.774 −61.400 1.00 43.62 MOL1 C ATOM 1338 CZTYR A 173 58.842 −49.384 −61.923 1.00 44.26 MOL1 C ATOM 1339 OH TYR A173 57.978 −50.036 −61.082 1.00 51.59 MOL1 O ATOM 1340 C TYR A 17362.475 −45.251 −65.486 1.00 55.17 MOL1 C ATOM 1341 O TYR A 173 62.322−44.788 −66.618 1.00 62.28 MOL1 O ATOM 1342 N SER A 174 63.636 −45.210−64.841 1.00 53.72 MOL1 N ATOM 1343 CA SER A 174 64.832 −44.632 −65.4491.00 51.71 MOL1 C ATOM 1344 CB SER A 174 64.833 −43.108 −65.304 1.0050.48 MOL1 C ATOM 1345 OG SER A 174 63.860 −42.498 −66.147 1.00 44.82MOL1 O ATOM 1346 C SER A 174 66.065 −45.223 −64.793 1.00 52.24 MOL1 CATOM 1347 O SER A 174 66.041 −45.570 −63.617 1.00 58.50 MOL1 O ATOM 1348N MET A 175 67.143 −45.338 −65.553 1.00 49.18 MOL1 N ATOM 1349 CA MET A175 68.363 −45.922 −65.031 1.00 47.47 MOL1 C ATOM 1350 CB MET A 17568.417 −47.380 −65.443 1.00 40.24 MOL1 C ATOM 1351 CG MET A 175 69.757−48.007 −65.277 1.00 42.37 MOL1 C ATOM 1352 SD MET A 175 69.821 −49.506−66.218 1.00 45.65 MOL1 S ATOM 1353 CE MET A 175 70.994 −50.394 −65.3041.00 40.57 MOL1 C ATOM 1354 C MET A 175 69.605 −45.206 −65.533 1.0050.44 MOL1 C ATOM 1355 O MET A 175 69.617 −44.676 −66.647 1.00 55.74MOL1 O ATOM 1356 N SER A 176 70.655 −45.210 −64.718 1.00 46.12 MOL1 NATOM 1357 CA SER A 176 71.892 −44.558 −65.091 1.00 41.27 MOL1 C ATOM1358 CB SER A 176 72.061 −43.303 −64.266 1.00 29.85 MOL1 C ATOM 1359 OGSER A 176 73.372 −42.821 −64.386 1.00 43.09 MOL1 O ATOM 1360 C SER A 17673.106 −45.456 −64.923 1.00 45.18 MOL1 C ATOM 1361 O SER A 176 73.592−45.658 −63.812 1.00 54.11 MOL1 O ATOM 1362 N SER A 177 73.598 −45.985−66.041 1.00 46.03 MOL1 N ATOM 1363 CA SER A 177 74.766 −46.859 −66.0511.00 44.00 MOL1 C ATOM 1364 CB SER A 177 74.588 −47.925 −67.127 1.0035.81 MOL1 C ATOM 1365 OG SER A 177 75.571 −48.936 −66.998 1.00 38.60MOL1 O ATOM 1366 C SER A 177 76.042 −46.049 −66.314 1.00 43.36 MOL1 CATOM 1367 O SER A 177 76.122 −45.294 −67.273 1.00 37.64 MOL1 O ATOM 1368N THR A 178 77.040 −46.225 −65.458 1.00 49.84 MOL1 N ATOM 1369 CA THR A178 78.297 −45.497 −65.574 1.00 52.81 MOL1 C ATOM 1370 CB THR A 17878.464 −44.563 −64.380 1.00 52.72 MOL1 C ATOM 1371 OG1 THR A 178 77.268−43.784 −64.208 1.00 53.19 MOL1 O ATOM 1372 CG2 THR A 178 79.661 −43.672−64.585 1.00 49.15 MOL1 C ATOM 1373 C THR A 178 79.525 −46.419 −65.6421.00 53.03 MOL1 C ATOM 1374 O THR A 178 79.827 −47.156 −64.706 1.0050.94 MOL1 O ATOM 1375 N LEU A 179 80.235 −46.368 −66.758 1.00 52.76MOL1 N ATOM 1376 CA LEU A 179 81.420 −47.185 −66.946 1.00 49.79 MOL1 CATOM 1377 CB LEU A 179 81.573 −47.529 −68.423 1.00 36.69 MOL1 C ATOM1378 CG LEU A 179 82.180 −48.863 −68.827 1.00 28.63 MOL1 C ATOM 1379 CD1LEU A 179 82.723 −48.732 −70.234 1.00 9.54 MOL1 C ATOM 1380 CD2 LEU A179 83.255 −49.267 −67.853 1.00 12.92 MOL1 C ATOM 1381 C LEU A 17982.613 −46.359 −66.500 1.00 55.80 MOL1 C ATOM 1382 O LEU A 179 82.973−45.379 −67.155 1.00 60.37 MOL1 O ATOM 1383 N THR A 180 83.220 −46.732−65.380 1.00 59.90 MOL1 N ATOM 1384 CA THR A 180 84.376 −45.994 −64.9091.00 61.75 MOL1 C ATOM 1385 CB THR A 180 84.280 −45.653 −63.441 1.0063.39 MOL1 C ATOM 1386 OG1 THR A 180 83.254 −44.670 −63.262 1.00 70.29MOL1 O ATOM 1387 CG2 THR A 180 85.597 −45.084 −62.955 1.00 62.81 MOL1 CATOM 1388 C THR A 180 85.658 −46.751 −65.173 1.00 62.47 MOL1 C ATOM 1389O THR A 180 85.851 −47.886 −64.737 1.00 54.28 MOL1 O ATOM 1390 N LEU A181 86.526 −46.084 −65.920 1.00 65.09 MOL1 N ATOM 1391 CA LEU A 18187.802 −46.615 −66.331 1.00 62.68 MOL1 C ATOM 1392 CB LEU A 181 87.846−46.659 −67.856 1.00 47.31 MOL1 C ATOM 1393 CG LEU A 181 86.804 −47.394−68.708 1.00 38.89 MOL1 C ATOM 1394 CD1 LEU A 181 86.855 −46.908 −70.1411.00 32.49 MOL1 C ATOM 1395 CD2 LEU A 181 87.068 −48.878 −68.681 1.0040.25 MOL1 C ATOM 1396 C LEU A 181 88.907 −45.689 −65.840 1.00 71.52MOL1 C ATOM 1397 O LEU A 181 88.650 −44.647 −65.235 1.00 78.58 MOL1 OATOM 1398 N THR A 182 90.142 −46.078 −66.124 1.00 74.68 MOL1 N ATOM 1399CA THR A 182 91.306 −45.298 −65.758 1.00 74.62 MOL1 C ATOM 1400 CB THR A182 92.413 −46.237 −65.283 1.00 62.12 MOL1 C ATOM 1401 OG1 THR A 18293.526 −45.466 −64.827 1.00 74.80 MOL1 O ATOM 1402 CG2 THR A 182 92.834−47.157 −66.395 1.00 52.68 MOL1 C ATOM 1403 C THR A 182 91.718 −44.554−67.032 1.00 77.25 MOL1 C ATOM 1404 O THR A 182 91.715 −45.133 −68.1081.00 74.29 MOL1 O ATOM 1405 N LYS A 183 92.060 −43.274 −66.924 1.0083.74 MOL1 N ATOM 1406 CA LYS A 183 92.420 −42.525 −68.121 1.00 85.05MOL1 C ATOM 1407 CB LYS A 183 93.107 −41.200 −67.783 1.00 84.93 MOL1 CATOM 1408 CG LYS A 183 93.493 −40.396 −69.028 1.00 89.07 MOL1 C ATOM1409 CD LYS A 183 94.113 −39.041 −68.690 1.00 95.34 MOL1 C ATOM 1410 CELYS A 183 94.971 −38.505 −69.852 1.00 102.58 MOL1 C ATOM 1411 NZ LYS A183 94.225 −38.217 −71.122 1.00 101.02 MOL1 N ATOM 1412 C LYS A 18393.299 −43.336 −69.054 1.00 86.65 MOL1 C ATOM 1413 O LYS A 183 93.243−43.151 −70.264 1.00 89.84 MOL1 O ATOM 1414 N ASP A 184 94.097 −44.244−68.498 1.00 84.63 MOL1 N ATOM 1415 CA ASP A 184 94.968 −45.074 −69.3201.00 78.83 MOL1 C ATOM 1416 CB ASP A 184 95.891 −45.922 −68.454 1.0076.43 MOL1 C ATOM 1417 CG ASP A 184 97.093 −45.160 −67.978 1.00 74.31MOL1 C ATOM 1418 OD1 ASP A 184 97.602 −44.319 −68.747 1.00 72.34 MOL1 OATOM 1419 OD2 ASP A 184 97.537 −45.412 −66.845 1.00 77.64 MOL1 O ATOM1420 C ASP A 184 94.164 −45.986 −70.222 1.00 74.98 MOL1 C ATOM 1421 OASP A 184 94.232 −45.882 −71.442 1.00 74.18 MOL1 O ATOM 1422 N GLU A 18593.410 −46.886 −69.602 1.00 72.44 MOL1 N ATOM 1423 CA GLU A 185 92.573−47.843 −70.315 1.00 66.34 MOL1 C ATOM 1424 CB GLU A 185 91.754 −48.663−69.314 1.00 63.30 MOL1 C ATOM 1425 CG GLU A 185 90.586 −49.427 −69.9211.00 67.55 MOL1 C ATOM 1426 CD GLU A 185 90.754 −50.947 −69.877 1.0072.80 MOL1 C ATOM 1427 OE1 GLU A 185 91.181 −51.544 −70.902 1.00 65.76MOL1 O ATOM 1428 OE2 GLU A 185 90.456 −51.536 −68.810 1.00 70.09 MOL1 OATOM 1429 C GLU A 185 91.632 −47.153 −71.280 1.00 60.58 MOL1 C ATOM 1430O GLU A 185 91.301 −47.688 −72.326 1.00 59.86 MOL1 O ATOM 1431 N TYR A186 91.198 −45.956 −70.929 1.00 57.50 MOL1 N ATOM 1432 CA TYR A 18690.287 −45.246 −71.790 1.00 53.11 MOL1 C ATOM 1433 CB TYR A 186 89.787−43.998 −71.107 1.00 44.58 MOL1 C ATOM 1434 CG TYR A 186 88.920 −43.169−72.007 1.00 37.74 MOL1 C ATOM 1435 CD1 TYR A 186 89.158 −41.819 −72.1671.00 31.73 MOL1 C ATOM 1436 CE1 TYR A 186 88.379 −41.062 −72.985 1.0036.38 MOL1 C ATOM 1437 CD2 TYR A 186 87.870 −43.734 −72.696 1.00 31.82MOL1 C ATOM 1438 CE2 TYR A 186 87.080 −42.980 −73.522 1.00 32.78 MOL1 CATOM 1439 CZ TYR A 186 87.336 −41.641 −73.664 1.00 35.16 MOL1 C ATOM1440 OH TYR A 186 86.546 −40.851 −74.466 1.00 32.28 MOL1 O ATOM 1441 CTYR A 186 90.941 −44.873 −73.098 1.00 58.07 MOL1 C ATOM 1442 O TYR A 18690.287 −44.840 −74.137 1.00 58.04 MOL1 O ATOM 1443 N GLU A 187 92.239−44.592 −73.044 1.00 64.32 MOL1 N ATOM 1444 CA GLU A 187 92.986 −44.205−74.235 1.00 63.73 MOL1 C ATOM 1445 CB GLU A 187 94.223 −43.415 −73.8281.00 57.01 MOL1 C ATOM 1446 CG GLU A 187 93.924 −42.217 −72.923 1.0062.09 MOL1 C ATOM 1447 CD GLU A 187 93.226 −41.066 −73.638 1.00 71.91MOL1 C ATOM 1448 OE1 GLU A 187 93.049 −39.993 −73.018 1.00 72.14 MOL1 OATOM 1449 OE2 GLU A 187 92.851 −41.224 −74.819 1.00 80.91 MOL1 O ATOM1450 C GLU A 187 93.372 −45.394 −75.117 1.00 64.63 MOL1 C ATOM 1451 OGLU A 187 93.408 −45.263 −76.336 1.00 66.47 MOL1 O ATOM 1452 N ARG A 18893.641 −46.549 −74.504 1.00 63.39 MOL1 N ATOM 1453 CA ARG A 188 94.005−47.768 −75.234 1.00 58.30 MOL1 C ATOM 1454 CB ARG A 188 94.199 −48.975−74.289 1.00 49.50 MOL1 C ATOM 1455 CG ARG A 188 95.198 −48.838 −73.1331.00 57.70 MOL1 C ATOM 1456 CD ARG A 188 95.079 −49.991 −72.096 1.0051.90 MOL1 C ATOM 1457 NE ARG A 188 94.958 −51.299 −72.754 1.00 76.56MOL1 N ATOM 1458 CZ ARG A 188 94.852 −52.466 −72.116 1.00 81.12 MOL1 CATOM 1459 NH1 ARG A 188 94.856 −52.484 −70.787 1.00 82.98 MOL1 N ATOM1460 NH2 ARG A 188 94.739 −53.612 −72.800 1.00 68.90 MOL1 N ATOM 1461 CARG A 188 92.938 −48.176 −76.254 1.00 59.20 MOL1 C ATOM 1462 O ARG A 18893.225 −48.956 −77.152 1.00 65.46 MOL1 O ATOM 1463 N HIS A 189 91.712−47.673 −76.112 1.00 56.80 MOL1 N ATOM 1464 CA HIS A 189 90.631 −48.034−77.032 1.00 55.86 MOL1 C ATOM 1465 CB HIS A 189 89.620 −48.900 −76.3171.00 42.17 MOL1 C ATOM 1466 CG HIS A 189 90.204 −50.157 −75.762 1.0038.98 MOL1 C ATOM 1467 CD2 HIS A 189 90.437 −51.360 −76.337 1.00 30.28MOL1 C ATOM 1468 ND1 HIS A 189 90.630 −50.266 −74.456 1.00 39.36 MOL1 NATOM 1469 CE1 HIS A 189 91.097 −51.484 −74.245 1.00 35.00 MOL1 C ATOM1470 NE2 HIS A 189 90.991 −52.166 −75.372 1.00 46.08 MOL1 N ATOM 1471 CHIS A 189 89.918 −46.858 −77.663 1.00 58.12 MOL1 C ATOM 1472 O HIS A 18990.022 −45.749 −77.172 1.00 62.25 MOL1 O ATOM 1473 N ASN A 190 89.164−47.108 −78.733 1.00 63.31 MOL1 N ATOM 1474 CA ASN A 190 88.482 −46.036−79.459 1.00 71.60 MOL1 C ATOM 1475 CB ASN A 190 88.913 −46.052 −80.9341.00 84.21 MOL1 C ATOM 1476 CG ASN A 190 90.226 −46.810 −81.158 1.00102.56 MOL1 C ATOM 1477 OD1 ASN A 190 91.244 −46.527 −80.511 1.00 107.31MOL1 O ATOM 1478 ND2 ASN A 190 90.207 −47.779 −82.082 1.00 104.96 MOL1 NATOM 1479 C ASN A 190 86.964 −46.031 −79.416 1.00 67.58 MOL1 C ATOM 1480O ASN A 190 86.351 −44.999 −79.160 1.00 72.39 MOL1 O ATOM 1481 N SER A191 86.352 −47.173 −79.685 1.00 59.40 MOL1 N ATOM 1482 CA SER A 19184.902 −47.248 −79.695 1.00 56.91 MOL1 C ATOM 1483 CB SER A 191 84.457−48.247 −80.739 1.00 57.49 MOL1 C ATOM 1484 OG SER A 191 83.319 −48.946−80.269 1.00 69.90 MOL1 O ATOM 1485 C SER A 191 84.239 −47.610 −78.3751.00 54.40 MOL1 C ATOM 1486 O SER A 191 84.642 −48.554 −77.716 1.0058.76 MOL1 O ATOM 1487 N TYR A 192 83.203 −46.863 −78.003 1.00 51.54MOL1 N ATOM 1488 CA TYR A 192 82.451 −47.120 −76.773 1.00 43.81 MOL1 CATOM 1489 CB TYR A 192 82.693 −46.050 −75.749 1.00 31.45 MOL1 C ATOM1490 CG TYR A 192 84.071 −46.101 −75.234 1.00 33.88 MOL1 C ATOM 1491 CD1TYR A 192 85.092 −45.470 −75.896 1.00 27.09 MOL1 C ATOM 1492 CE1 TYR A192 86.359 −45.561 −75.446 1.00 30.45 MOL1 C ATOM 1493 CD2 TYR A 19284.365 −46.826 −74.105 1.00 35.96 MOL1 C ATOM 1494 CE2 TYR A 192 85.638−46.925 −73.650 1.00 36.01 MOL1 C ATOM 1495 CZ TYR A 192 86.626 −46.291−74.322 1.00 31.98 MOL1 C ATOM 1496 OH TYR A 192 87.900 −46.375 −73.8551.00 47.59 MOL1 O ATOM 1497 C TYR A 192 80.974 −47.178 −76.994 1.0040.63 MOL1 C ATOM 1498 O TYR A 192 80.384 −46.205 −77.423 1.00 52.47MOL1 O ATOM 1499 N THR A 193 80.357 −48.308 −76.706 1.00 37.69 MOL1 NATOM 1500 CA THR A 193 78.928 −48.374 −76.892 1.00 38.83 MOL1 C ATOM1501 CB THR A 193 78.503 −49.230 −78.093 1.00 37.54 MOL1 C ATOM 1502 OG1THR A 193 78.013 −50.486 −77.614 1.00 45.73 MOL1 O ATOM 1503 CG2 THR A193 79.662 −49.433 −79.084 1.00 33.88 MOL1 C ATOM 1504 C THR A 19378.199 −48.868 −75.663 1.00 41.18 MOL1 C ATOM 1505 O THR A 193 78.737−49.561 −74.816 1.00 38.28 MOL1 O ATOM 1506 N CYS A 194 76.941 −48.476−75.598 1.00 47.42 MOL1 N ATOM 1507 CA CYS A 194 76.047 −48.774 −74.5021.00 47.15 MOL1 C ATOM 1508 C CYS A 194 74.831 −49.431 −75.134 1.0047.65 MOL1 C ATOM 1509 O CYS A 194 74.062 −48.774 −75.803 1.00 54.03MOL1 O ATOM 1510 CB CYS A 194 75.684 −47.442 −73.858 1.00 39.68 MOL1 CATOM 1511 SG CYS A 194 74.348 −47.500 −72.653 1.00 51.74 MOL1 S ATOM1512 N GLU A 195 74.671 −50.731 −74.942 1.00 48.90 MOL1 N ATOM 1513 CAGLU A 195 73.563 −51.470 −75.536 1.00 49.80 MOL1 C ATOM 1514 CB GLU A195 74.036 −52.807 −76.101 1.00 53.85 MOL1 C ATOM 1515 CG GLU A 19574.596 −52.777 −77.489 1.00 65.24 MOL1 C ATOM 1516 CD GLU A 195 75.010−54.161 −77.957 1.00 74.76 MOL1 C ATOM 1517 OE1 GLU A 195 74.373 −55.150−77.505 1.00 68.48 MOL1 O ATOM 1518 OE2 GLU A 195 75.960 −54.249 −78.7841.00 78.03 MOL1 O ATOM 1519 C GLU A 195 72.477 −51.790 −74.549 1.0049.53 MOL1 C ATOM 1520 O GLU A 195 72.682 −52.576 −73.630 1.00 54.30MOL1 O ATOM 1521 N ALA A 196 71.299 −51.231 −74.779 1.00 48.84 MOL1 NATOM 1522 CA ALA A 196 70.150 −51.463 −73.914 1.00 45.50 MOL1 C ATOM1523 CB ALA A 196 69.484 −50.169 −73.632 1.00 36.22 MOL1 C ATOM 1524 CALA A 196 69.127 −52.425 −74.496 1.00 42.90 MOL1 C ATOM 1525 O ALA A 19668.513 −52.128 −75.505 1.00 44.36 MOL1 O ATOM 1526 N THR A 197 68.941−53.572 −73.855 1.00 46.25 MOL1 N ATOM 1527 CA THR A 197 67.967 −54.546−74.312 1.00 48.46 MOL1 C ATOM 1528 CB THR A 197 68.576 −55.949 −74.3341.00 48.70 MOL1 C ATOM 1529 OG1 THR A 197 69.130 −56.194 −75.631 1.0054.19 MOL1 O ATOM 1530 CG2 THR A 197 67.535 −56.992 −74.042 1.00 53.48MOL1 C ATOM 1531 C THR A 197 66.702 −54.494 −73.439 1.00 49.26 MOL1 CATOM 1532 O THR A 197 66.755 −54.609 −72.214 1.00 44.04 MOL1 O ATOM 1533N HIS A 198 65.560 −54.320 −74.102 1.00 52.14 MOL1 N ATOM 1534 CA HIS A198 64.278 −54.182 −73.429 1.00 48.51 MOL1 C ATOM 1535 CB HIS A 19863.990 −52.696 −73.274 1.00 50.82 MOL1 C ATOM 1536 CG HIS A 198 62.824−52.388 −72.395 1.00 51.96 MOL1 C ATOM 1537 CD2 HIS A 198 61.867 −51.440−72.493 1.00 49.15 MOL1 C ATOM 1538 ND1 HIS A 198 62.600 −53.040 −71.2011.00 54.81 MOL1 N ATOM 1539 CE1 HIS A 198 61.556 −52.504 −70.600 1.0053.80 MOL1 C ATOM 1540 NE2 HIS A 198 61.094 −51.530 −71.363 1.00 55.59MOL1 N ATOM 1541 C HIS A 198 63.084 −54.851 −74.106 1.00 47.86 MOL1 CATOM 1542 O HIS A 198 62.980 −54.892 −75.323 1.00 51.50 MOL1 O ATOM 1543N LYS A 199 62.177 −55.352 −73.279 1.00 50.89 MOL1 N ATOM 1544 CA LYS A199 60.943 −56.023 −73.686 1.00 45.78 MOL1 C ATOM 1545 CB LYS A 19959.970 −56.037 −72.489 1.00 44.61 MOL1 C ATOM 1546 CG LYS A 199 58.541−56.495 −72.772 1.00 44.39 MOL1 C ATOM 1547 CD LYS A 199 57.756 −56.707−71.466 1.00 47.28 MOL1 C ATOM 1548 CE LYS A 199 56.227 −56.710 −71.6381.00 53.72 MOL1 C ATOM 1549 NZ LYS A 199 55.676 −57.784 −72.524 1.0062.45 MOL1 N ATOM 1550 C LYS A 199 60.263 −55.369 −74.868 1.00 44.08MOL1 C ATOM 1551 O LYS A 199 59.597 −56.048 −75.648 1.00 45.54 MOL1 OATOM 1552 N THR A 200 60.429 −54.054 −75.000 1.00 38.03 MOL1 N ATOM 1553CA THR A 200 59.778 −53.323 −76.077 1.00 39.11 MOL1 C ATOM 1554 CB THR A200 59.803 −51.790 −75.832 1.00 35.10 MOL1 C ATOM 1555 OG1 THR A 20061.140 −51.292 −75.896 1.00 43.36 MOL1 O ATOM 1556 CG2 THR A 200 59.243−51.468 −74.483 1.00 40.65 MOL1 C ATOM 1557 C THR A 200 60.284 −53.601−77.489 1.00 45.06 MOL1 C ATOM 1558 O THR A 200 59.611 −53.251 −78.4611.00 46.28 MOL1 O ATOM 1559 N SER A 201 61.454 −54.226 −77.612 1.0052.58 MOL1 N ATOM 1560 CA SER A 201 62.019 −54.525 −78.928 1.00 56.91MOL1 C ATOM 1561 CB SER A 201 62.890 −53.370 −79.415 1.00 64.84 MOL1 CATOM 1562 OG SER A 201 62.651 −52.186 −78.662 1.00 79.89 MOL1 O ATOM1563 C SER A 201 62.858 −55.786 −78.927 1.00 58.33 MOL1 C ATOM 1564 OSER A 201 63.387 −56.203 −77.890 1.00 61.71 MOL1 O ATOM 1565 N THR A 20262.979 −56.377 −80.111 1.00 55.24 MOL1 N ATOM 1566 CA THR A 202 63.742−57.598 −80.313 1.00 54.05 MOL1 C ATOM 1567 CB THR A 202 63.183 −58.385−81.491 1.00 45.01 MOL1 C ATOM 1568 OG1 THR A 202 63.108 −57.522 −82.6311.00 44.48 MOL1 O ATOM 1569 CG2 THR A 202 61.810 −58.921 −81.171 1.0037.84 MOL1 C ATOM 1570 C THR A 202 65.177 −57.225 −80.647 1.00 58.54MOL1 C ATOM 1571 O THR A 202 66.090 −58.049 −80.582 1.00 64.29 MOL1 OATOM 1572 N SER A 203 65.359 −55.967 −81.009 1.00 55.87 MOL1 N ATOM 1573CA SER A 203 66.659 −55.469 −81.390 1.00 55.42 MOL1 C ATOM 1574 CB SER A203 66.579 −54.862 −82.792 1.00 64.96 MOL1 C ATOM 1575 OG SER A 20365.456 −55.364 −83.506 1.00 68.33 MOL1 O ATOM 1576 C SER A 203 67.032−54.401 −80.405 1.00 51.49 MOL1 C ATOM 1577 O SER A 203 66.366 −53.378−80.324 1.00 56.39 MOL1 O ATOM 1578 N PRO A 204 68.125 −54.603 −79.6671.00 49.57 MOL1 N ATOM 1579 CD PRO A 204 69.104 −55.652 −79.978 1.0045.62 MOL1 C ATOM 1580 CA PRO A 204 68.655 −53.689 −78.646 1.00 47.71MOL1 C ATOM 1581 CB PRO A 204 69.883 −54.423 −78.143 1.00 36.27 MOL1 CATOM 1582 CG PRO A 204 70.362 −55.096 −79.363 1.00 46.52 MOL1 C ATOM1583 C PRO A 204 68.969 −52.275 −79.131 1.00 44.75 MOL1 C ATOM 1584 OPRO A 204 69.432 −52.078 −80.254 1.00 51.85 MOL1 O ATOM 1585 N ILE A 20568.689 −51.289 −78.286 1.00 37.07 MOL1 N ATOM 1586 CA ILE A 205 68.956−49.906 −78.636 1.00 35.88 MOL1 C ATOM 1587 CB ILE A 205 68.136 −48.913−77.778 1.00 28.59 MOL1 C ATOM 1588 CG2 ILE A 205 68.284 −47.508 −78.2981.00 13.39 MOL1 C ATOM 1589 CG1 ILE A 205 66.658 −49.256 −77.849 1.0031.89 MOL1 C ATOM 1590 CD1 ILE A 205 65.760 −48.190 −77.275 1.00 39.23MOL1 C ATOM 1591 C ILE A 205 70.420 −49.701 −78.337 1.00 39.64 MOL1 CATOM 1592 O ILE A 205 70.864 −49.964 −77.230 1.00 44.95 MOL1 O ATOM 1593N VAL A 206 71.179 −49.245 −79.323 1.00 43.84 MOL1 N ATOM 1594 CA VAL A206 72.603 −49.033 −79.113 1.00 46.15 MOL1 C ATOM 1595 CB VAL A 20673.460 −49.918 −80.009 1.00 40.18 MOL1 C ATOM 1596 CG1 VAL A 206 72.920−51.328 −80.020 1.00 42.45 MOL1 C ATOM 1597 CG2 VAL A 206 73.492 −49.351−81.399 1.00 46.95 MOL1 C ATOM 1598 C VAL A 206 73.016 −47.621 −79.3971.00 49.94 MOL1 C ATOM 1599 O VAL A 206 72.652 −47.049 −80.418 1.0061.62 MOL1 O ATOM 1600 N LYS A 207 73.784 −47.059 −78.483 1.00 50.86MOL1 N ATOM 1601 CA LYS A 207 74.274 −45.707 −78.639 1.00 58.81 MOL1 CATOM 1602 CB LYS A 207 73.559 −44.765 −77.671 1.00 58.42 MOL1 C ATOM1603 CG LYS A 207 72.054 −44.611 −77.924 1.00 64.34 MOL1 C ATOM 1604 CDLYS A 207 71.751 −44.216 −79.377 1.00 73.63 MOL1 C ATOM 1605 CE LYS A207 70.355 −43.607 −79.559 1.00 74.77 MOL1 C ATOM 1606 NZ LYS A 20770.253 −42.210 −79.017 1.00 80.67 MOL1 N ATOM 1607 C LYS A 207 75.760−45.757 −78.342 1.00 62.66 MOL1 C ATOM 1608 O LYS A 207 76.181 −46.435−77.409 1.00 66.08 MOL1 O ATOM 1609 N SER A 208 76.559 −45.064 −79.1441.00 64.15 MOL1 N ATOM 1610 CA SER A 208 77.996 −45.070 −78.937 1.0063.92 MOL1 C ATOM 1611 CB SER A 208 78.621 −46.249 −79.658 1.00 62.29MOL1 C ATOM 1612 OG SER A 208 78.496 −46.087 −81.051 1.00 69.40 MOL1 OATOM 1613 C SER A 208 78.660 −43.803 −79.414 1.00 66.06 MOL1 C ATOM 1614O SER A 208 78.001 −42.892 −79.908 1.00 72.59 MOL1 O ATOM 1615 N PHE A209 79.978 −43.762 −79.272 1.00 66.19 MOL1 N ATOM 1616 CA PHE A 20980.750 −42.605 −79.676 1.00 71.93 MOL1 C ATOM 1617 CB PHE A 209 80.563−41.508 −78.655 1.00 68.73 MOL1 C ATOM 1618 CG PHE A 209 81.399 −41.692−77.441 1.00 62.75 MOL1 C ATOM 1619 CD1 PHE A 209 82.611 −41.041 −77.3181.00 64.63 MOL1 C ATOM 1620 CD2 PHE A 209 81.001 −42.548 −76.443 1.0064.44 MOL1 C ATOM 1621 CE1 PHE A 209 83.411 −41.245 −76.220 1.00 68.44MOL1 C ATOM 1622 CE2 PHE A 209 81.797 −42.759 −75.339 1.00 71.39 MOL1 CATOM 1623 CZ PHE A 209 83.006 −42.107 −75.227 1.00 71.78 MOL1 C ATOM1624 C PHE A 209 82.222 −42.972 −79.725 1.00 75.88 MOL1 C ATOM 1625 OPHE A 209 82.674 −43.788 −78.937 1.00 79.10 MOL1 O ATOM 1626 N ASN A 21082.970 −42.364 −80.639 1.00 80.19 MOL1 N ATOM 1627 CA ASN A 210 84.397−42.637 −80.739 1.00 83.35 MOL1 C ATOM 1628 CB ASN A 210 84.787 −42.975−82.168 1.00 74.44 MOL1 C ATOM 1629 CG ASN A 210 83.996 −44.117 −82.7291.00 72.99 MOL1 C ATOM 1630 OD1 ASN A 210 84.357 −44.680 −83.759 1.0075.22 MOL1 O ATOM 1631 ND2 ASN A 210 82.905 −44.467 −82.067 1.00 72.31MOL1 N ATOM 1632 C ASN A 210 85.172 −41.411 −80.299 1.00 92.82 MOL1 CATOM 1633 O ASN A 210 84.599 −40.327 −80.169 1.00 99.32 MOL1 O ATOM 1634N ARG A 211 86.473 −41.571 −80.073 1.00 99.04 MOL1 N ATOM 1635 CA ARG A211 87.287 −40.439 −79.659 1.00 107.02 MOL1 C ATOM 1636 CB ARG A 21188.451 −40.903 −78.791 1.00 93.10 MOL1 C ATOM 1637 CG ARG A 211 88.073−41.235 −77.356 1.00 79.51 MOL1 C ATOM 1638 CD ARG A 211 89.295 −41.722−76.571 1.00 73.79 MOL1 C ATOM 1639 NE ARG A 211 90.006 −42.738 −77.3411.00 71.41 MOL1 N ATOM 1640 CZ ARG A 211 91.270 −42.640 −77.738 1.0070.17 MOL1 C ATOM 1641 NH1 ARG A 211 91.982 −41.569 −77.420 1.00 71.92MOL1 N ATOM 1642 NH2 ARG A 211 91.805 −43.587 −78.506 1.00 68.06 MOL1 NATOM 1643 C ARG A 211 87.804 −39.593 −80.827 1.00 121.27 MOL1 C ATOM1644 O ARG A 211 88.444 −40.099 −81.766 1.00 119.32 MOL1 O ATOM 1645 NASN A 212 87.487 −38.298 −80.752 1.00 135.01 MOL1 N ATOM 1646 CA ASN A212 87.890 −37.305 −81.745 1.00 145.02 MOL1 C ATOM 1647 CB ASN A 21286.663 −36.718 −82.458 1.00 137.80 MOL1 C ATOM 1648 CG ASN A 212 85.950−37.738 −83.333 1.00 132.35 MOL1 C ATOM 1649 OD1 ASN A 212 86.566−38.393 −84.177 1.00 126.73 MOL1 O ATOM 1650 ND2 ASN A 212 84.643−37.870 −83.140 1.00 128.12 MOL1 N ATOM 1651 C ASN A 212 88.694 −36.198−81.045 1.00 154.72 MOL1 C ATOM 1652 O ASN A 212 89.535 −35.545 −81.6681.00 157.30 MOL1 O ATOM 1653 N GLU A 213 88.428 −36.001 −79.750 1.00162.53 MOL1 N ATOM 1654 CA GLU A 213 89.138 −35.014 −78.920 1.00 168.79MOL1 C ATOM 1655 CB GLU A 213 90.625 −35.395 −78.813 1.00 169.60 MOL1 CATOM 1656 CG GLU A 213 90.907 −36.740 −78.141 1.00 170.51 MOL1 C ATOM1657 CD GLU A 213 92.383 −37.131 −78.192 1.00 169.55 MOL1 C ATOM 1658OE1 GLU A 213 92.749 −38.162 −77.588 1.00 168.02 MOL1 O ATOM 1659 OE2GLU A 213 93.175 −36.411 −78.838 1.00 169.37 MOL1 O ATOM 1660 C GLU A213 89.049 −33.548 −79.357 1.00 172.64 MOL1 C ATOM 1661 O GLU A 21389.783 −33.115 −80.248 1.00 173.63 MOL1 O ATOM 1662 N CYS A 214 88.171−32.784 −78.709 1.00 176.10 MOL1 N ATOM 1663 CA CYS A 214 87.997 −31.359−79.010 1.00 179.13 MOL1 C ATOM 1664 CB CYS A 214 87.418 −31.162 −80.4231.00 179.49 MOL1 C ATOM 1665 SG CYS A 214 88.420 −30.127 −81.553 1.00180.10 MOL1 S ATOM 1666 C CYS A 214 87.067 −30.702 −77.984 1.00 180.20MOL1 C ATOM 1667 O CYS A 214 86.648 −31.400 −77.034 1.00 181.04 MOL1 OATOM 1668 OXT CYS A 214 86.764 −29.497 −78.143 1.00 180.10 MOL1 O ATOM1669 CB GLU B 1 46.708 −39.422 −29.729 1.00 92.80 MOL1 C ATOM 1670 CGGLU B 1 45.511 −38.548 −30.169 1.00 106.71 MOL1 C ATOM 1671 CD GLU B 145.054 −37.536 −29.111 1.00 113.96 MOL1 C ATOM 1672 OE1 GLU B 1 44.367−36.557 −29.487 1.00 113.19 MOL1 O ATOM 1673 OE2 GLU B 1 45.363 −37.722−27.908 1.00 118.07 MOL1 O ATOM 1674 C GLU B 1 49.136 −39.618 −29.1881.00 76.62 MOL1 C ATOM 1675 O GLU B 1 49.286 −39.476 −27.979 1.00 79.69MOL1 O ATOM 1676 N GLU B 1 48.419 −38.707 −31.390 1.00 83.29 MOL1 N ATOM1677 CA GLU B 1 48.098 −38.794 −29.937 1.00 81.61 MOL1 C ATOM 1678 N VALB 2 49.865 −40.468 −29.900 1.00 68.35 MOL1 N ATOM 1679 CA VAL B 2 50.857−41.313 −29.248 1.00 63.27 MOL1 C ATOM 1680 CB VAL B 2 50.550 −42.780−29.493 1.00 59.59 MOL1 C ATOM 1681 CG1 VAL B 2 51.267 −43.634 −28.4811.00 51.24 MOL1 C ATOM 1682 CG2 VAL B 2 49.052 −42.995 −29.492 1.0063.72 MOL1 C ATOM 1683 C VAL B 2 52.262 −41.077 −29.757 1.00 67.70 MOL1C ATOM 1684 O VAL B 2 52.880 −41.996 −30.286 1.00 77.73 MOL1 O ATOM 1685N GLN B 3 52.781 −39.870 −29.584 1.00 66.29 MOL1 N ATOM 1686 CA GLN B 354.125 −39.534 −30.060 1.00 62.99 MOL1 C ATOM 1687 CB GLN B 3 54.452−38.077 −29.719 1.00 73.78 MOL1 C ATOM 1688 CG GLN B 3 53.589 −37.034−30.427 1.00 91.77 MOL1 C ATOM 1689 CD GLN B 3 53.525 −37.241 −31.9341.00 101.46 MOL1 C ATOM 1690 OE1 GLN B 3 52.813 −38.126 −32.421 1.00106.00 MOL1 O ATOM 1691 NE2 GLN B 3 54.281 −36.429 −32.682 1.00 105.77MOL1 N ATOM 1692 C GLN B 3 55.300 −40.401 −29.583 1.00 55.69 MOL1 C ATOM1693 O GLN B 3 55.367 −40.827 −28.438 1.00 46.69 MOL1 O ATOM 1694 N LEUB 4 56.226 −40.651 −30.500 1.00 54.86 MOL1 N ATOM 1695 CA LEU B 4 57.460−41.395 −30.236 1.00 51.40 MOL1 C ATOM 1696 CB LEU B 4 57.385 −42.836−30.704 1.00 50.04 MOL1 C ATOM 1697 CG LEU B 4 56.609 −43.772 −29.8131.00 53.16 MOL1 C ATOM 1698 CD1 LEU B 4 56.653 −45.200 −30.362 1.0054.68 MOL1 C ATOM 1699 CD2 LEU B 4 57.235 −43.682 −28.448 1.00 57.66MOL1 C ATOM 1700 C LEU B 4 58.491 −40.688 −31.090 1.00 52.50 MOL1 C ATOM1701 O LEU B 4 58.267 −40.482 −32.290 1.00 55.22 MOL1 O ATOM 1702 N VALB 5 59.603 −40.279 −30.491 1.00 51.49 MOL1 N ATOM 1703 CA VAL B 5 60.636−39.598 −31.267 1.00 48.73 MOL1 C ATOM 1704 CB VAL B 5 60.564 −38.054−31.130 1.00 38.29 MOL1 C ATOM 1705 CG1 VAL B 5 59.153 −37.620 −30.8861.00 20.66 MOL1 C ATOM 1706 CG2 VAL B 5 61.470 −37.580 −30.024 1.0046.70 MOL1 C ATOM 1707 C VAL B 5 62.033 −40.067 −30.891 1.00 51.85 MOL1C ATOM 1708 O VAL B 5 62.441 −40.045 −29.724 1.00 53.70 MOL1 O ATOM 1709N GLU B 6 62.759 −40.517 −31.904 1.00 54.55 MOL1 N ATOM 1710 CA GLU B 664.109 −41.004 −31.698 1.00 59.68 MOL1 C ATOM 1711 CB GLU B 6 64.419−42.179 −32.638 1.00 58.72 MOL1 C ATOM 1712 CG GLU B 6 63.520 −43.391−32.442 1.00 63.40 MOL1 C ATOM 1713 CD GLU B 6 62.481 −43.540 −33.5381.00 68.99 MOL1 C ATOM 1714 OE1 GLU B 6 61.896 −42.521 −33.965 1.0068.13 MOL1 O ATOM 1715 OE2 GLU B 6 62.239 −44.684 −33.969 1.00 72.32MOL1 O ATOM 1716 C GLU B 6 65.102 −39.877 −31.926 1.00 62.51 MOL1 C ATOM1717 O GLU B 6 64.779 −38.840 −32.519 1.00 62.23 MOL1 O ATOM 1718 N SERB 7 66.317 −40.092 −31.444 1.00 65.47 MOL1 N ATOM 1719 CA SER B 7 67.363−39.105 −31.564 1.00 67.74 MOL1 C ATOM 1720 CB SER B 7 67.110 −37.975−30.580 1.00 71.57 MOL1 C ATOM 1721 OG SER B 7 68.305 −37.256 −30.3421.00 85.77 MOL1 O ATOM 1722 C SER B 7 68.714 −39.718 −31.272 1.00 69.29MOL1 C ATOM 1723 O SER B 7 68.814 −40.789 −30.668 1.00 66.88 MOL1 O ATOM1724 N GLY B 8 69.757 −39.021 −31.700 1.00 73.83 MOL1 N ATOM 1725 CA GLYB 8 71.101 −39.503 −31.462 1.00 79.51 MOL1 C ATOM 1726 C GLY B 8 71.689−40.148 −32.690 1.00 81.37 MOL1 C ATOM 1727 O GLY B 8 72.599 −40.967−32.594 1.00 80.82 MOL1 O ATOM 1728 N GLY B 9 71.167 −39.775 −33.8511.00 84.19 MOL1 N ATOM 1729 CA GLY B 9 71.665 −40.342 −35.087 1.00 85.32MOL1 C ATOM 1730 C GLY B 9 72.935 −39.674 −35.563 1.00 84.49 MOL1 C ATOM1731 O GLY B 9 73.254 −38.563 −35.144 1.00 83.86 MOL1 O ATOM 1732 N GLYB 10 73.657 −40.358 −36.444 1.00 88.01 MOL1 N ATOM 1733 CA GLY B 1074.897 −39.823 −36.982 1.00 91.06 MOL1 C ATOM 1734 C GLY B 10 75.817−40.917 −37.498 1.00 90.60 MOL1 C ATOM 1735 O GLY B 10 75.444 −42.097−37.503 1.00 89.39 MOL1 O ATOM 1736 N LEU B 11 77.016 −40.535 −37.9401.00 87.59 MOL1 N ATOM 1737 CA LEU B 11 77.980 −41.515 −38.445 1.0084.85 MOL1 C ATOM 1738 CB LEU B 11 78.654 −41.035 −39.732 1.00 83.78MOL1 C ATOM 1739 CG LEU B 11 79.532 −39.793 −39.639 1.00 92.04 MOL1 CATOM 1740 CD1 LEU B 11 80.000 −39.404 −41.038 1.00 89.62 MOL1 C ATOM1741 CD2 LEU B 11 78.752 −38.648 −38.988 1.00 98.71 MOL1 C ATOM 1742 CLEU B 11 79.026 −41.762 −37.387 1.00 80.95 MOL1 C ATOM 1743 O LEU B 1179.219 −40.940 −36.493 1.00 80.32 MOL1 O ATOM 1744 N VAL B 12 79.706−42.894 −37.485 1.00 77.34 MOL1 N ATOM 1745 CA VAL B 12 80.713 −43.226−36.499 1.00 79.50 MOL1 C ATOM 1746 CB VAL B 12 80.055 −43.626 −35.1691.00 78.17 MOL1 C ATOM 1747 CG1 VAL B 12 79.010 −44.677 −35.412 1.0076.02 MOL1 C ATOM 1748 CG2 VAL B 12 81.099 −44.151 −34.203 1.00 82.85MOL1 C ATOM 1749 C VAL B 12 81.602 −44.362 −36.964 1.00 81.68 MOL1 CATOM 1750 O VAL B 12 81.129 −45.441 −37.276 1.00 85.47 MOL1 O ATOM 1751N GLN B 13 82.902 −44.103 −37.004 1.00 87.73 MOL1 N ATOM 1752 CA GLN B13 83.887 −45.087 −37.429 1.00 87.70 MOL1 C ATOM 1753 CB GLN B 13 85.299−44.564 −37.106 1.00 93.25 MOL1 C ATOM 1754 CG GLN B 13 85.612 −44.330−35.600 1.00 105.01 MOL1 C ATOM 1755 CD GLN B 13 84.752 −43.241 −34.9231.00 108.62 MOL1 C ATOM 1756 OE1 GLN B 13 84.530 −42.161 −35.487 1.00110.17 MOL1 O ATOM 1757 NE2 GLN B 13 84.289 −43.521 −33.698 1.00 100.71MOL1 N ATOM 1758 C GLN B 13 83.650 −46.441 −36.767 1.00 81.85 MOL1 CATOM 1759 O GLN B 13 83.176 −46.522 −35.644 1.00 83.04 MOL1 O ATOM 1760N PRO B 14 83.955 −47.527 −37.473 1.00 78.83 MOL1 N ATOM 1761 CD PRO B14 84.450 −47.575 −38.857 1.00 80.79 MOL1 C ATOM 1762 CA PRO B 14 83.772−48.872 −36.929 1.00 81.36 MOL1 C ATOM 1763 CB PRO B 14 84.589 −49.731−37.878 1.00 80.68 MOL1 C ATOM 1764 CG PRO B 14 84.344 −49.058 −39.1911.00 84.61 MOL1 C ATOM 1765 C PRO B 14 84.300 −48.942 −35.511 1.00 84.32MOL1 C ATOM 1766 O PRO B 14 85.114 −48.116 −35.112 1.00 85.63 MOL1 OATOM 1767 N GLY B 15 83.842 −49.927 −34.750 1.00 89.73 MOL1 N ATOM 1768CA GLY B 15 84.300 −50.066 −33.380 1.00 93.56 MOL1 C ATOM 1769 C GLY B15 83.741 −49.008 −32.448 1.00 93.53 MOL1 C ATOM 1770 O GLY B 15 83.483−49.287 −31.279 1.00 96.75 MOL1 O ATOM 1771 N GLY B 16 83.553 −47.796−32.963 1.00 93.40 MOL1 N ATOM 1772 CA GLY B 16 83.020 −46.708 −32.1561.00 93.36 MOL1 C ATOM 1773 C GLY B 16 81.716 −47.030 −31.443 1.00 92.55MOL1 C ATOM 1774 O GLY B 16 81.203 −48.151 −31.535 1.00 92.88 MOL1 OATOM 1775 N SER B 17 81.174 −46.054 −30.722 1.00 90.20 MOL1 N ATOM 1776CA SER B 17 79.921 −46.275 −30.010 1.00 91.53 MOL1 C ATOM 1777 CB SER B17 80.192 −46.638 −28.553 1.00 90.56 MOL1 C ATOM 1778 OG SER B 17 80.673−47.965 −28.461 1.00 97.19 MOL1 O ATOM 1779 C SER B 17 78.934 −45.114−30.066 1.00 91.20 MOL1 C ATOM 1780 O SER B 17 79.320 −43.948 −30.2171.00 90.40 MOL1 O ATOM 1781 N LEU B 18 77.650 −45.455 −29.957 1.00 87.85MOL1 N ATOM 1782 CA LEU B 18 76.585 −44.466 −29.973 1.00 81.60 MOL1 CATOM 1783 CB LEU B 18 76.053 −44.262 −31.388 1.00 80.12 MOL1 C ATOM 1784CG LEU B 18 76.209 −42.801 −31.815 1.00 81.32 MOL1 C ATOM 1785 CD1 LEU B18 75.633 −42.590 −33.202 1.00 76.33 MOL1 C ATOM 1786 CD2 LEU B 1875.517 −41.904 −30.788 1.00 85.69 MOL1 C ATOM 1787 C LEU B 18 75.449−44.875 −29.051 1.00 80.39 MOL1 C ATOM 1788 O LEU B 18 75.233 −46.064−28.795 1.00 77.79 MOL1 O ATOM 1789 N ARG B 19 74.740 −43.870 −28.5411.00 80.56 MOL1 N ATOM 1790 CA ARG B 19 73.605 −44.078 −27.641 1.0080.87 MOL1 C ATOM 1791 CB ARG B 19 73.897 −43.494 −26.254 1.00 85.72MOL1 C ATOM 1792 CG ARG B 19 72.751 −43.590 −25.237 1.00 82.86 MOL1 CATOM 1793 CD ARG B 19 72.952 −42.531 −24.160 1.00 87.91 MOL1 C ATOM 1794NE ARG B 19 72.042 −42.612 −23.015 1.00 91.00 MOL1 N ATOM 1795 CZ ARG B19 71.945 −43.653 −22.189 1.00 94.13 MOL1 C ATOM 1796 NH1 ARG B 1972.693 −44.741 −22.376 1.00 84.28 MOL1 N ATOM 1797 NH2 ARG B 19 71.128−43.583 −21.140 1.00 93.49 MOL1 N ATOM 1798 C ARG B 19 72.382 −43.379−28.224 1.00 79.41 MOL1 C ATOM 1799 O ARG B 19 72.371 −42.153 −28.3961.00 79.85 MOL1 O ATOM 1800 N LEU B 20 71.354 −44.168 −28.525 1.00 75.09MOL1 N ATOM 1801 CA LEU B 20 70.123 −43.640 −29.088 1.00 66.85 MOL1 CATOM 1802 CB LEU B 20 69.645 −44.530 −30.219 1.00 65.49 MOL1 C ATOM 1803CG LEU B 20 70.528 −44.532 −31.456 1.00 62.82 MOL1 C ATOM 1804 CD1 LEU B20 70.296 −45.817 −32.218 1.00 57.88 MOL1 C ATOM 1805 CD2 LEU B 2070.231 −43.293 −32.299 1.00 58.37 MOL1 C ATOM 1806 C LEU B 20 69.042−43.537 −28.035 1.00 67.03 MOL1 C ATOM 1807 O LEU B 20 68.948 −44.373−27.120 1.00 61.60 MOL1 O ATOM 1808 N SER B 21 68.220 −42.502 −28.1771.00 66.77 MOL1 N ATOM 1809 CA SER B 21 67.125 −42.249 −27.246 1.0066.59 MOL1 C ATOM 1810 CB SER B 21 67.440 −41.017 −26.394 1.00 72.40MOL1 C ATOM 1811 OG SER B 21 68.373 −40.165 −27.051 1.00 86.54 MOL1 OATOM 1812 C SER B 21 65.795 −42.063 −27.962 1.00 59.32 MOL1 C ATOM 1813O SER B 21 65.743 −41.647 −29.112 1.00 55.95 MOL1 O ATOM 1814 N CYS B 2264.719 −42.397 −27.269 1.00 59.26 MOL1 N ATOM 1815 CA CYS B 22 63.376−42.272 −27.823 1.00 63.35 MOL1 C ATOM 1816 C CYS B 22 62.480 −41.702−26.749 1.00 58.51 MOL1 C ATOM 1817 O CYS B 22 62.360 −42.256 −25.6611.00 55.11 MOL1 O ATOM 1818 CB CYS B 22 62.822 −43.632 −28.267 1.0070.91 MOL1 C ATOM 1819 SG CYS B 22 61.092 −43.638 −28.868 1.00 69.75MOL1 S ATOM 1820 N ALA B 23 61.858 −40.581 −27.064 1.00 55.49 MOL1 NATOM 1821 CA ALA B 23 60.983 −39.923 −26.125 1.00 57.79 MOL1 C ATOM 1822CB ALA B 23 61.141 −38.430 −26.256 1.00 54.12 MOL1 C ATOM 1823 C ALA B23 59.559 −40.327 −26.438 1.00 62.28 MOL1 C ATOM 1824 O ALA B 23 59.071−40.043 −27.528 1.00 72.96 MOL1 O ATOM 1825 N ALA B 24 58.892 −40.984−25.491 1.00 59.76 MOL1 N ATOM 1826 CA ALA B 24 57.515 −41.429 −25.6921.00 55.65 MOL1 C ATOM 1827 CB ALA B 24 57.333 −42.827 −25.111 1.0055.99 MOL1 C ATOM 1828 C ALA B 24 56.508 −40.474 −25.068 1.00 50.19 MOL1C ATOM 1829 O ALA B 24 56.841 −39.698 −24.178 1.00 52.13 MOL1 O ATOM1830 N SER B 25 55.271 −40.545 −25.529 1.00 45.27 MOL1 N ATOM 1831 CASER B 25 54.232 −39.683 −25.010 1.00 48.65 MOL1 C ATOM 1832 CB SER B 2554.467 −38.251 −25.461 1.00 48.57 MOL1 C ATOM 1833 OG SER B 25 53.339−37.781 −26.179 1.00 54.52 MOL1 O ATOM 1834 C SER B 25 52.892 −40.144−25.535 1.00 53.00 MOL1 C ATOM 1835 O SER B 25 52.822 −40.851 −26.5361.00 61.24 MOL1 O ATOM 1836 N GLY B 26 51.822 −39.726 −24.872 1.00 54.62MOL1 N ATOM 1837 CA GLY B 26 50.494 −40.121 −25.308 1.00 54.72 MOL1 CATOM 1838 C GLY B 26 50.050 −41.474 −24.772 1.00 45.42 MOL1 C ATOM 1839O GLY B 26 49.043 −42.030 −25.212 1.00 42.66 MOL1 O ATOM 1840 N PHE B 2750.803 −42.018 −23.833 1.00 36.73 MOL1 N ATOM 1841 CA PHE B 27 50.425−43.293 −23.273 1.00 45.67 MOL1 C ATOM 1842 CB PHE B 27 50.534 −44.373−24.333 1.00 39.88 MOL1 C ATOM 1843 CG PHE B 27 51.939 −44.750 −24.6951.00 46.62 MOL1 C ATOM 1844 CD1 PHE B 27 52.425 −46.022 −24.404 1.0049.24 MOL1 C ATOM 1845 CD2 PHE B 27 52.750 −43.875 −25.393 1.00 49.02MOL1 C ATOM 1846 CE1 PHE B 27 53.688 −46.417 −24.813 1.00 49.13 MOL1 CATOM 1847 CE2 PHE B 27 54.016 −44.266 −25.803 1.00 53.94 MOL1 C ATOM1848 CZ PHE B 27 54.483 −45.542 −25.514 1.00 52.90 MOL1 C ATOM 1849 CPHE B 27 51.206 −43.700 −22.027 1.00 52.80 MOL1 C ATOM 1850 O PHE B 2752.308 −43.208 −21.763 1.00 56.14 MOL1 O ATOM 1851 N THR B 28 50.627−44.597 −21.244 1.00 54.92 MOL1 N ATOM 1852 CA THR B 28 51.291 −45.037−20.032 1.00 59.91 MOL1 C ATOM 1853 CB THR B 28 50.313 −45.847 −19.1571.00 65.78 MOL1 C ATOM 1854 OG1 THR B 28 49.272 −44.972 −18.697 1.0066.99 MOL1 O ATOM 1855 CG2 THR B 28 51.030 −46.477 −17.962 1.00 65.79MOL1 C ATOM 1856 C THR B 28 52.523 −45.861 −20.388 1.00 57.46 MOL1 CATOM 1857 O THR B 28 52.479 −47.091 −20.426 1.00 54.80 MOL1 O ATOM 1858N PHE B 29 53.618 −45.153 −20.654 1.00 57.06 MOL1 N ATOM 1859 CA PHE B29 54.895 −45.759 −21.036 1.00 60.02 MOL1 C ATOM 1860 CB PHE B 29 55.985−44.676 −21.068 1.00 55.85 MOL1 C ATOM 1861 CG PHE B 29 57.351 −45.190−21.448 1.00 57.00 MOL1 C ATOM 1862 CD1 PHE B 29 57.749 −45.231 −22.7721.00 55.30 MOL1 C ATOM 1863 CD2 PHE B 29 58.224 −45.676 −20.477 1.0059.98 MOL1 C ATOM 1864 CE1 PHE B 29 58.988 −45.749 −23.121 1.00 51.86MOL1 C ATOM 1865 CE2 PHE B 29 59.465 −46.197 −20.822 1.00 50.05 MOL1 CATOM 1866 CZ PHE B 29 59.843 −46.233 −22.145 1.00 50.50 MOL1 C ATOM 1867C PHE B 29 55.321 −46.885 −20.090 1.00 63.14 MOL1 C ATOM 1868 O PHE B 2955.647 −48.003 −20.518 1.00 57.84 MOL1 O ATOM 1869 N SER B 30 55.318−46.569 −18.800 1.00 68.76 MOL1 N ATOM 1870 CA SER B 30 55.712 −47.506−17.747 1.00 73.60 MOL1 C ATOM 1871 CB SER B 30 55.622 −46.801 −16.3781.00 80.60 MOL1 C ATOM 1872 OG SER B 30 54.426 −46.032 −16.248 1.0084.81 MOL1 O ATOM 1873 C SER B 30 54.877 −48.782 −17.722 1.00 70.64 MOL1C ATOM 1874 O SER B 30 55.096 −49.662 −16.898 1.00 69.54 MOL1 O ATOM1875 N ASP B 31 53.937 −48.881 −18.650 1.00 71.65 MOL1 N ATOM 1876 CAASP B 31 53.034 −50.013 −18.714 1.00 70.16 MOL1 C ATOM 1877 CB ASP B 3151.620 −49.500 −18.948 1.00 77.49 MOL1 C ATOM 1878 CG ASP B 31 50.622−50.126 −18.027 1.00 88.93 MOL1 C ATOM 1879 OD1 ASP B 31 50.532 −51.374−18.020 1.00 95.83 MOL1 O ATOM 1880 OD2 ASP B 31 49.929 −49.367 −17.3101.00 96.84 MOL1 O ATOM 1881 C ASP B 31 53.346 −51.035 −19.784 1.00 65.89MOL1 C ATOM 1882 O ASP B 31 53.055 −52.207 −19.615 1.00 67.11 MOL1 OATOM 1883 N TYR B 32 53.927 −50.599 −20.891 1.00 64.43 MOL1 N ATOM 1884CA TYR B 32 54.207 −51.522 −21.985 1.00 61.62 MOL1 C ATOM 1885 CB TYR B32 53.581 −50.999 −23.266 1.00 55.41 MOL1 C ATOM 1886 CG TYR B 32 52.108−50.796 −23.165 1.00 51.34 MOL1 C ATOM 1887 CD1 TYR B 32 51.230 −51.709−23.716 1.00 49.66 MOL1 C ATOM 1888 CE1 TYR B 32 49.878 −51.536 −23.6161.00 53.52 MOL1 C ATOM 1889 CD2 TYR B 32 51.592 −49.700 −22.506 1.0051.65 MOL1 C ATOM 1890 CE2 TYR B 32 50.240 −49.522 −22.392 1.00 58.62MOL1 C ATOM 1891 CZ TYR B 32 49.384 −50.444 −22.946 1.00 58.75 MOL1 CATOM 1892 OH TYR B 32 48.026 −50.297 −22.785 1.00 70.25 MOL1 O ATOM 1893C TYR B 32 55.665 −51.785 −22.266 1.00 61.33 MOL1 C ATOM 1894 O TYR B 3256.533 −51.008 −21.877 1.00 64.82 MOL1 O ATOM 1895 N ASN B 33 55.928−52.888 −22.959 1.00 60.89 MOL1 N ATOM 1896 CA ASN B 33 57.295 −53.215−23.353 1.00 63.30 MOL1 C ATOM 1897 CB ASN B 33 57.429 −54.661 −23.8681.00 64.44 MOL1 C ATOM 1898 CG ASN B 33 56.811 −55.686 −22.944 1.0069.90 MOL1 C ATOM 1899 OD1 ASN B 33 56.929 −55.594 −21.722 1.00 71.26MOL1 O ATOM 1900 ND2 ASN B 33 56.159 −56.692 −23.534 1.00 73.88 MOL1 NATOM 1901 C ASN B 33 57.651 −52.276 −24.519 1.00 62.16 MOL1 C ATOM 1902O ASN B 33 56.778 −51.737 −25.189 1.00 64.71 MOL1 O ATOM 1903 N MET B 3458.934 −52.086 −24.771 1.00 58.74 MOL1 N ATOM 1904 CA MET B 34 59.350−51.240 −25.869 1.00 50.90 MOL1 C ATOM 1905 CB MET B 34 59.902 −49.937−25.328 1.00 48.83 MOL1 C ATOM 1906 CG MET B 34 58.863 −49.094 −24.6251.00 47.15 MOL1 C ATOM 1907 SD MET B 34 57.512 −48.641 −25.725 1.0050.43 MOL1 S ATOM 1908 CE MET B 34 58.261 −47.327 −26.794 1.00 43.83MOL1 C ATOM 1909 C MET B 34 60.414 −51.986 −26.658 1.00 52.46 MOL1 CATOM 1910 O MET B 34 61.012 −52.937 −26.158 1.00 53.36 MOL1 O ATOM 1911N ALA B 35 60.650 −51.578 −27.897 1.00 50.28 MOL1 N ATOM 1912 CA ALA B35 61.648 −52.266 −28.700 1.00 45.02 MOL1 C ATOM 1913 CB ALA B 35 61.050−53.515 −29.331 1.00 29.39 MOL1 C ATOM 1914 C ALA B 35 62.235 −51.394−29.775 1.00 48.08 MOL1 C ATOM 1915 O ALA B 35 61.740 −50.296 −30.0561.00 49.70 MOL1 O ATOM 1916 N TRP B 36 63.330 −51.881 −30.351 1.00 51.88MOL1 N ATOM 1917 CA TRP B 36 63.975 −51.177 −31.443 1.00 51.95 MOL1 CATOM 1918 CB TRP B 36 65.420 −50.809 −31.130 1.00 45.10 MOL1 C ATOM 1919CG TRP B 36 65.565 −49.798 −30.057 1.00 43.87 MOL1 C ATOM 1920 CD2 TRP B36 65.596 −48.378 −30.210 1.00 40.77 MOL1 C ATOM 1921 CE2 TRP B 3665.788 −47.822 −28.923 1.00 45.65 MOL1 C ATOM 1922 CE3 TRP B 36 65.484−47.521 −31.303 1.00 42.67 MOL1 C ATOM 1923 CD1 TRP B 36 65.730 −50.043−28.729 1.00 54.15 MOL1 C ATOM 1924 NE1 TRP B 36 65.868 −48.861 −28.0371.00 52.53 MOL1 N ATOM 1925 CZ2 TRP B 36 65.870 −46.449 −28.701 1.0038.30 MOL1 C ATOM 1926 CZ3 TRP B 36 65.568 −46.151 −31.084 1.00 45.99MOL1 C ATOM 1927 CH2 TRP B 36 65.759 −45.631 −29.789 1.00 42.88 MOL1 CATOM 1928 C TRP B 36 63.934 −52.117 −32.623 1.00 49.95 MOL1 C ATOM 1929O TRP B 36 64.092 −53.334 −32.475 1.00 45.55 MOL1 O ATOM 1930 N VAL B 3763.687 −51.540 −33.788 1.00 46.39 MOL1 N ATOM 1931 CA VAL B 37 63.617−52.298 −35.013 1.00 47.88 MOL1 C ATOM 1932 CB VAL B 37 62.169 −52.400−35.492 1.00 41.67 MOL1 C ATOM 1933 CG1 VAL B 37 62.065 −53.324 −36.6631.00 41.23 MOL1 C ATOM 1934 CG2 VAL B 37 61.320 −52.898 −34.384 1.0041.38 MOL1 C ATOM 1935 C VAL B 37 64.427 −51.461 −35.975 1.00 52.48 MOL1C ATOM 1936 O VAL B 37 64.256 −50.241 −36.035 1.00 55.74 MOL1 O ATOM1937 N ARG B 38 65.316 −52.105 −36.718 1.00 52.27 MOL1 N ATOM 1938 CAARG B 38 66.165 −51.393 −37.664 1.00 52.32 MOL1 C ATOM 1939 CB ARG B 3867.613 −51.778 −37.423 1.00 59.42 MOL1 C ATOM 1940 CG ARG B 38 67.768−53.293 −37.331 1.00 64.80 MOL1 C ATOM 1941 CD ARG B 38 69.102 −53.780−37.846 1.00 65.87 MOL1 C ATOM 1942 NE ARG B 38 70.211 −53.258 −37.0641.00 69.65 MOL1 N ATOM 1943 CZ ARG B 38 71.243 −53.996 −36.676 1.0076.35 MOL1 C ATOM 1944 NH1 ARG B 38 71.299 −55.286 −36.997 1.00 78.10MOL1 N ATOM 1945 NH2 ARG B 38 72.220 −53.444 −35.975 1.00 80.15 MOL1 NATOM 1946 C ARG B 38 65.814 −51.761 −39.086 1.00 49.40 MOL1 C ATOM 1947O ARG B 38 65.183 −52.799 −39.333 1.00 48.23 MOL1 O ATOM 1948 N GLN B 3966.260 −50.924 −40.019 1.00 44.75 MOL1 N ATOM 1949 CA GLN B 39 66.027−51.157 −41.438 1.00 43.64 MOL1 C ATOM 1950 CB GLN B 39 64.729 −50.505−41.854 1.00 41.38 MOL1 C ATOM 1951 CG GLN B 39 64.449 −50.506 −43.3291.00 34.67 MOL1 C ATOM 1952 CD GLN B 39 63.095 −49.913 −43.611 1.0042.91 MOL1 C ATOM 1953 OE1 GLN B 39 62.779 −48.805 −43.156 1.00 43.88MOL1 O ATOM 1954 NE2 GLN B 39 62.278 −50.642 −44.356 1.00 43.01 MOL1 NATOM 1955 C GLN B 39 67.160 −50.599 −42.279 1.00 47.48 MOL1 C ATOM 1956O GLN B 39 67.243 −49.390 −42.496 1.00 44.38 MOL1 O ATOM 1957 N ALA B 4068.029 −51.489 −42.751 1.00 52.72 MOL1 N ATOM 1958 CA ALA B 40 69.166−51.097 −43.577 1.00 57.93 MOL1 C ATOM 1959 CB ALA B 40 70.051 −52.286−43.815 1.00 60.62 MOL1 C ATOM 1960 C ALA B 40 68.715 −50.525 −44.9091.00 64.10 MOL1 C ATOM 1961 O ALA B 40 67.752 −51.001 −45.507 1.00 71.54MOL1 O ATOM 1962 N PRO B 41 69.427 −49.510 −45.411 1.00 66.71 MOL1 NATOM 1963 CD PRO B 41 70.733 −49.035 −44.936 1.00 66.97 MOL1 C ATOM 1964CA PRO B 41 69.084 −48.877 −46.687 1.00 71.95 MOL1 C ATOM 1965 CB PRO B41 70.376 −48.181 −47.081 1.00 65.76 MOL1 C ATOM 1966 CG PRO B 41 70.933−47.794 −45.769 1.00 69.20 MOL1 C ATOM 1967 C PRO B 41 68.642 −49.890−47.732 1.00 77.48 MOL1 C ATOM 1968 O PRO B 41 69.321 −50.889 −47.9681.00 80.43 MOL1 O ATOM 1969 N GLY B 42 67.492 −49.633 −48.341 1.00 82.42MOL1 N ATOM 1970 CA GLY B 42 66.977 −50.529 −49.357 1.00 82.41 MOL1 CATOM 1971 C GLY B 42 66.426 −51.829 −48.809 1.00 79.86 MOL1 C ATOM 1972O GLY B 42 65.435 −52.347 −49.323 1.00 81.14 MOL1 O ATOM 1973 N LYS B 4367.053 −52.351 −47.760 1.00 75.67 MOL1 N ATOM 1974 CA LYS B 43 66.620−53.609 −47.167 1.00 78.61 MOL1 C ATOM 1975 CB LYS B 43 67.745 −54.174−46.297 1.00 87.21 MOL1 C ATOM 1976 CG LYS B 43 69.005 −54.545 −47.0801.00 100.19 MOL1 C ATOM 1977 CD LYS B 43 69.995 −55.315 −46.201 1.00112.51 MOL1 C ATOM 1978 CE LYS B 43 69.365 −56.593 −45.627 1.00 117.15MOL1 C ATOM 1979 NZ LYS B 43 70.287 −57.328 −44.705 1.00 117.37 MOL1 NATOM 1980 C LYS B 43 65.306 −53.582 −46.367 1.00 73.40 MOL1 C ATOM 1981O LYS B 43 64.650 −52.543 −46.241 1.00 68.85 MOL1 O ATOM 1982 N GLY B 4464.939 −54.747 −45.835 1.00 67.59 MOL1 N ATOM 1983 CA GLY B 44 63.712−54.886 −45.071 1.00 65.22 MOL1 C ATOM 1984 C GLY B 44 63.781 −54.467−43.614 1.00 64.36 MOL1 C ATOM 1985 O GLY B 44 64.568 −53.594 −43.2511.00 70.41 MOL1 O ATOM 1986 N LEU B 45 62.960 −55.083 −42.768 1.00 56.81MOL1 N ATOM 1987 CA LEU B 45 62.943 −54.720 −41.357 1.00 51.84 MOL1 CATOM 1988 CB LEU B 45 61.515 −54.395 −40.893 1.00 47.66 MOL1 C ATOM 1989CG LEU B 45 60.686 −53.353 −41.671 1.00 49.11 MOL1 C ATOM 1990 CD1 LEU B45 59.243 −53.418 −41.213 1.00 41.70 MOL1 C ATOM 1991 CD2 LEU B 4561.229 −51.951 −41.487 1.00 34.18 MOL1 C ATOM 1992 C LEU B 45 63.511−55.831 −40.505 1.00 55.33 MOL1 C ATOM 1993 O LEU B 45 63.154 −57.000−40.665 1.00 59.00 MOL1 O ATOM 1994 N GLU B 46 64.400 −55.452 −39.5931.00 57.69 MOL1 N ATOM 1995 CA GLU B 46 65.052 −56.404 −38.697 1.0061.86 MOL1 C ATOM 1996 CB GLU B 46 66.557 −56.435 −38.971 1.00 75.49MOL1 C ATOM 1997 CG GLU B 46 67.313 −57.598 −38.340 1.00 87.36 MOL1 CATOM 1998 CD GLU B 46 68.743 −57.703 −38.864 1.00 92.97 MOL1 C ATOM 1999OE1 GLU B 46 69.650 −57.057 −38.286 1.00 94.73 MOL1 O ATOM 2000 OE2 GLUB 46 68.951 −58.423 −39.869 1.00 93.69 MOL1 O ATOM 2001 C GLU B 4664.819 −55.955 −37.277 1.00 58.22 MOL1 C ATOM 2002 O GLU B 46 64.976−54.773 −36.965 1.00 53.10 MOL1 O ATOM 2003 N TRP B 47 64.443 −56.895−36.419 1.00 57.07 MOL1 N ATOM 2004 CA TRP B 47 64.180 −56.569 −35.0261.00 60.27 MOL1 C ATOM 2005 CB TRP B 47 63.291 −57.625 −34.381 1.0057.30 MOL1 C ATOM 2006 CG TRP B 47 63.340 −57.537 −32.911 1.00 57.43MOL1 C ATOM 2007 CD2 TRP B 47 63.840 −58.524 −32.010 1.00 64.30 MOL1 CATOM 2008 CE2 TRP B 47 63.765 −57.983 −30.715 1.00 68.83 MOL1 C ATOM2009 CE3 TRP B 47 64.348 −59.813 −32.172 1.00 69.52 MOL1 C ATOM 2010 CD1TRP B 47 62.988 −56.474 −32.153 1.00 64.23 MOL1 C ATOM 2011 NE1 TRP B 4763.238 −56.727 −30.828 1.00 68.28 MOL1 N ATOM 2012 CZ2 TRP B 47 64.180−58.683 −29.592 1.00 69.21 MOL1 C ATOM 2013 CZ3 TRP B 47 64.758 −60.507−31.057 1.00 69.35 MOL1 C ATOM 2014 CH2 TRP B 47 64.673 −59.941 −29.7841.00 72.43 MOL1 C ATOM 2015 C TRP B 47 65.480 −56.507 −34.259 1.00 60.65MOL1 C ATOM 2016 O TRP B 47 66.271 −57.434 −34.327 1.00 69.26 MOL1 OATOM 2017 N VAL B 48 65.706 −55.426 −33.527 1.00 58.46 MOL1 N ATOM 2018CA VAL B 48 66.940 −55.305 −32.764 1.00 55.72 MOL1 C ATOM 2019 CB VAL B48 67.389 −53.849 −32.644 1.00 48.84 MOL1 C ATOM 2020 CG1 VAL B 4868.417 −53.724 −31.552 1.00 42.05 MOL1 C ATOM 2021 CG2 VAL B 48 67.972−53.385 −33.969 1.00 38.51 MOL1 C ATOM 2022 C VAL B 48 66.787 −55.889−31.378 1.00 59.88 MOL1 C ATOM 2023 O VAL B 48 67.259 −56.986 −31.1171.00 66.07 MOL1 O ATOM 2024 N ALA B 49 66.124 −55.168 −30.485 1.00 64.15MOL1 N ATOM 2025 CA ALA B 49 65.933 −55.677 −29.136 1.00 68.80 MOL1 CATOM 2026 CB ALA B 49 67.142 −55.348 −28.286 1.00 67.97 MOL1 C ATOM 2027C ALA B 49 64.680 −55.095 −28.506 1.00 73.99 MOL1 C ATOM 2028 O ALA B 4964.124 −54.106 −29.007 1.00 75.88 MOL1 O ATOM 2029 N THR B 50 64.234−55.727 −27.420 1.00 73.72 MOL1 N ATOM 2030 CA THR B 50 63.061 −55.266−26.675 1.00 70.84 MOL1 C ATOM 2031 CB THR B 50 61.765 −56.065 −27.0221.00 70.46 MOL1 C ATOM 2032 OG1 THR B 50 61.053 −56.353 −25.812 1.0066.20 MOL1 O ATOM 2033 CG2 THR B 50 62.084 −57.352 −27.765 1.00 63.45MOL1 C ATOM 2034 C THR B 50 63.330 −55.371 −25.179 1.00 64.29 MOL1 CATOM 2035 O THR B 50 64.051 −56.257 −24.739 1.00 66.34 MOL1 O ATOM 2036N ILE B 51 62.750 −54.450 −24.418 1.00 59.03 MOL1 N ATOM 2037 CA ILE B51 62.903 −54.368 −22.964 1.00 60.21 MOL1 C ATOM 2038 CB ILE B 51 63.628−53.059 −22.574 1.00 63.37 MOL1 C ATOM 2039 CG2 ILE B 51 62.886 −51.870−23.158 1.00 67.01 MOL1 C ATOM 2040 CG1 ILE B 51 63.689 −52.880 −21.0561.00 60.34 MOL1 C ATOM 2041 CD1 ILE B 51 64.217 −51.500 −20.639 1.0042.72 MOL1 C ATOM 2042 C ILE B 51 61.511 −54.318 −22.358 1.00 63.16 MOL1C ATOM 2043 O ILE B 51 60.637 −53.651 −22.894 1.00 68.58 MOL1 O ATOM2044 N THR B 52 61.309 −54.984 −21.229 1.00 64.43 MOL1 N ATOM 2045 CATHR B 52 59.999 −55.014 −20.588 1.00 66.52 MOL1 C ATOM 2046 CB THR B 5259.940 −56.170 −19.640 1.00 63.07 MOL1 C ATOM 2047 OG1 THR B 52 60.431−57.338 −20.311 1.00 58.32 MOL1 O ATOM 2048 CG2 THR B 52 58.517 −56.403−19.208 1.00 71.39 MOL1 C ATOM 2049 C THR B 52 59.593 −53.743 −19.8411.00 71.53 MOL1 C ATOM 2050 O THR B 52 60.427 −52.898 −19.546 1.00 74.19MOL1 O ATOM 2051 N TYR B 53 58.308 −53.613 −19.526 1.00 77.80 MOL1 NATOM 2052 CA TYR B 53 57.826 −52.418 −18.845 1.00 85.35 MOL1 C ATOM 2053CB TYR B 53 56.298 −52.455 −18.698 1.00 88.65 MOL1 C ATOM 2054 CG TYR B53 55.755 −53.391 −17.635 1.00 96.94 MOL1 C ATOM 2055 CD1 TYR B 5355.856 −54.774 −17.766 1.00 100.45 MOL1 C ATOM 2056 CE1 TYR B 53 55.303−55.628 −16.816 1.00 103.92 MOL1 C ATOM 2057 CD2 TYR B 53 55.091 −52.887−16.518 1.00 101.50 MOL1 C ATOM 2058 CE2 TYR B 53 54.537 −53.728 −15.5671.00 105.53 MOL1 C ATOM 2059 CZ TYR B 53 54.643 −55.096 −15.721 1.00107.84 MOL1 C ATOM 2060 OH TYR B 53 54.066 −55.928 −14.785 1.00 112.40MOL1 O ATOM 2061 C TYR B 53 58.476 −52.148 −17.492 1.00 89.73 MOL1 CATOM 2062 O TYR B 53 58.895 −51.020 −17.227 1.00 85.91 MOL1 O ATOM 2063N GLU B 54 58.555 −53.174 −16.644 1.00 95.57 MOL1 N ATOM 2064 CA GLU B54 59.158 −53.054 −15.315 1.00 96.04 MOL1 C ATOM 2065 CB GLU B 54 59.150−54.406 −14.616 1.00 96.47 MOL1 C ATOM 2066 CG GLU B 54 59.909 −55.466−15.386 1.00 102.64 MOL1 C ATOM 2067 CD GLU B 54 59.069 −56.704 −15.6481.00 109.60 MOL1 C ATOM 2068 OE1 GLU B 54 59.569 −57.620 −16.343 1.00110.56 MOL1 O ATOM 2069 OE2 GLU B 54 57.913 −56.763 −15.160 1.00 106.82MOL1 O ATOM 2070 C GLU B 54 60.592 −52.579 −15.476 1.00 97.62 MOL1 CATOM 2071 O GLU B 54 61.138 −51.884 −14.620 1.00 96.02 MOL1 O ATOM 2072N GLY B 55 61.201 −52.970 −16.586 1.00 98.19 MOL1 N ATOM 2073 CA GLY B55 62.557 −52.552 −16.849 1.00 98.16 MOL1 C ATOM 2074 C GLY B 55 63.572−53.608 −16.510 1.00 99.02 MOL1 C ATOM 2075 O GLY B 55 64.768 −53.349−16.574 1.00 99.87 MOL1 O ATOM 2076 N ARG B 56 63.117 −54.801 −16.1511.00 102.67 MOL1 N ATOM 2077 CA ARG B 56 64.071 −55.846 −15.815 1.00109.99 MOL1 C ATOM 2078 CB ARG B 56 64.027 −56.143 −14.310 1.00 120.09MOL1 C ATOM 2079 CG ARG B 56 65.396 −56.531 −13.704 1.00 131.53 MOL1 CATOM 2080 CD ARG B 56 66.519 −55.506 −14.023 1.00 138.72 MOL1 C ATOM2081 NE ARG B 56 66.268 −54.159 −13.493 1.00 142.56 MOL1 N ATOM 2082 CZARG B 56 67.086 −53.117 −13.654 1.00 140.61 MOL1 C ATOM 2083 NH1 ARG B56 68.219 −53.255 −14.331 1.00 139.77 MOL1 N ATOM 2084 NH2 ARG B 5666.767 −51.932 −13.145 1.00 137.84 MOL1 N ATOM 2085 C ARG B 56 63.876−57.122 −16.625 1.00 107.40 MOL1 C ATOM 2086 O ARG B 56 63.302 −58.099−16.150 1.00 105.77 MOL1 O ATOM 2087 N ASN B 57 64.370 −57.075 −17.8591.00 106.30 MOL1 N ATOM 2088 CA ASN B 57 64.330 −58.175 −18.819 1.00103.13 MOL1 C ATOM 2089 CB ASN B 57 63.020 −58.954 −18.735 1.00 109.31MOL1 C ATOM 2090 CG ASN B 57 63.171 −60.237 −17.943 1.00 116.48 MOL1 CATOM 2091 OD1 ASN B 57 64.056 −61.055 −18.226 1.00 119.17 MOL1 O ATOM2092 ND2 ASN B 57 62.312 −60.424 −16.946 1.00 119.65 MOL1 N ATOM 2093 CASN B 57 64.532 −57.641 −20.229 1.00 97.02 MOL1 C ATOM 2094 O ASN B 5763.639 −57.047 −20.824 1.00 94.31 MOL1 O ATOM 2095 N THR B 58 65.735−57.858 −20.742 1.00 91.48 MOL1 N ATOM 2096 CA THR B 58 66.122 −57.406−22.063 1.00 88.47 MOL1 C ATOM 2097 CB THR B 58 67.462 −56.667 −21.9811.00 89.89 MOL1 C ATOM 2098 OG1 THR B 58 68.491 −57.583 −21.580 1.0090.62 MOL1 O ATOM 2099 CG2 THR B 58 67.375 −55.537 −20.956 1.00 86.04MOL1 C ATOM 2100 C THR B 58 66.273 −58.637 −22.939 1.00 87.58 MOL1 CATOM 2101 O THR B 58 66.523 −59.723 −22.418 1.00 86.67 MOL1 O ATOM 2102N TYR B 59 66.140 −58.487 −24.257 1.00 86.81 MOL1 N ATOM 2103 CA TYR B59 66.252 −59.657 −25.112 1.00 92.72 MOL1 C ATOM 2104 CB TYR B 59 64.872−60.004 −25.665 1.00 94.05 MOL1 C ATOM 2105 CG TYR B 59 63.975 −60.556−24.578 1.00 101.13 MOL1 C ATOM 2106 CD1 TYR B 59 63.472 −59.727 −23.5791.00 103.97 MOL1 C ATOM 2107 CE1 TYR B 59 62.746 −60.238 −22.511 1.00104.73 MOL1 C ATOM 2108 CD2 TYR B 59 63.715 −61.923 −24.485 1.00 103.68MOL1 C ATOM 2109 CE2 TYR B 59 62.986 −62.446 −23.418 1.00 105.50 MOL1 CATOM 2110 CZ TYR B 59 62.508 −61.595 −22.433 1.00 106.12 MOL1 C ATOM2111 OH TYR B 59 61.816 −62.095 −21.352 1.00 105.21 MOL1 O ATOM 2112 CTYR B 59 67.311 −59.689 −26.214 1.00 93.91 MOL1 C ATOM 2113 O TYR B 5968.066 −60.661 −26.304 1.00 101.59 MOL1 O ATOM 2114 N TYR B 60 67.376−58.661 −27.052 1.00 86.78 MOL1 N ATOM 2115 CA TYR B 60 68.381 −58.608−28.123 1.00 81.63 MOL1 C ATOM 2116 CB TYR B 60 69.795 −58.542 −27.5421.00 68.64 MOL1 C ATOM 2117 CG TYR B 60 69.995 −57.478 −26.506 1.0059.84 MOL1 C ATOM 2118 CD1 TYR B 60 69.653 −57.705 −25.181 1.00 59.97MOL1 C ATOM 2119 CE1 TYR B 60 69.802 −56.716 −24.225 1.00 65.05 MOL1 CATOM 2120 CD2 TYR B 60 70.496 −56.235 −26.852 1.00 57.42 MOL1 C ATOM2121 CE2 TYR B 60 70.644 −55.235 −25.908 1.00 60.53 MOL1 C ATOM 2122 CZTYR B 60 70.294 −55.477 −24.595 1.00 65.79 MOL1 C ATOM 2123 OH TYR B 6070.397 −54.476 −23.654 1.00 66.07 MOL1 O ATOM 2124 C TYR B 60 68.372−59.717 −29.183 1.00 83.30 MOL1 C ATOM 2125 O TYR B 60 67.950 −60.850−28.948 1.00 83.74 MOL1 O ATOM 2126 N ARG B 61 68.887 −59.354 −30.3511.00 85.06 MOL1 N ATOM 2127 CA ARG B 61 68.987 −60.229 −31.507 1.0089.57 MOL1 C ATOM 2128 CB ARG B 61 68.883 −59.366 −32.775 1.00 87.91MOL1 C ATOM 2129 CG ARG B 61 68.986 −60.104 −34.100 1.00 89.71 MOL1 CATOM 2130 CD ARG B 61 68.604 −59.191 −35.265 1.00 91.21 MOL1 C ATOM 2131NE ARG B 61 68.150 −59.964 −36.418 1.00 95.41 MOL1 N ATOM 2132 CZ ARG B61 68.957 −60.493 −37.334 1.00 100.00 MOL1 C ATOM 2133 NH1 ARG B 6170.271 −60.318 −37.239 1.00 101.90 MOL1 N ATOM 2134 NH2 ARG B 61 68.457−61.222 −38.326 1.00 96.25 MOL1 N ATOM 2135 C ARG B 61 70.339 −60.938−31.462 1.00 94.03 MOL1 C ATOM 2136 O ARG B 61 71.350 −60.324 −31.1291.00 97.78 MOL1 O ATOM 2137 N ASP B 62 70.369 −62.225 −31.784 1.00 96.51MOL1 N ATOM 2138 CA ASP B 62 71.633 −62.952 −31.779 1.00 97.02 MOL1 CATOM 2139 CB ASP B 62 71.390 −64.447 −32.022 1.00 107.96 MOL1 C ATOM2140 CG ASP B 62 71.171 −65.232 −30.728 1.00 114.45 MOL1 C ATOM 2141 OD1ASP B 62 70.495 −64.717 −29.805 1.00 115.26 MOL1 O ATOM 2142 OD2 ASP B62 71.672 −66.376 −30.644 1.00 115.30 MOL1 O ATOM 2143 C ASP B 62 72.497−62.382 −32.888 1.00 92.57 MOL1 C ATOM 2144 O ASP B 62 72.675 −63.016−33.921 1.00 96.14 MOL1 O ATOM 2145 N SER B 63 73.023 −61.181 −32.6741.00 86.96 MOL1 N ATOM 2146 CA SER B 63 73.854 −60.516 −33.673 1.0087.32 MOL1 C ATOM 2147 CB SER B 63 73.075 −60.284 −34.977 1.00 91.29MOL1 C ATOM 2148 OG SER B 63 72.923 −61.474 −35.742 1.00 96.02 MOL1 OATOM 2149 C SER B 63 74.340 −59.177 −33.161 1.00 85.60 MOL1 C ATOM 2150O SER B 63 75.072 −58.469 −33.850 1.00 86.71 MOL1 O ATOM 2151 N VAL B 6473.913 −58.823 −31.957 1.00 83.68 MOL1 N ATOM 2152 CA VAL B 64 74.314−57.565 −31.355 1.00 88.45 MOL1 C ATOM 2153 CB VAL B 64 73.353 −56.437−31.692 1.00 88.13 MOL1 C ATOM 2154 CG1 VAL B 64 73.352 −56.179 −33.1791.00 94.20 MOL1 C ATOM 2155 CG2 VAL B 64 71.963 −56.788 −31.200 1.0091.56 MOL1 C ATOM 2156 C VAL B 64 74.305 −57.719 −29.858 1.00 92.93 MOL1C ATOM 2157 O VAL B 64 74.251 −56.726 −29.127 1.00 91.76 MOL1 O ATOM2158 N LYS B 65 74.342 −58.966 −29.398 1.00 99.29 MOL1 N ATOM 2159 CALYS B 65 74.343 −59.222 −27.962 1.00 104.57 MOL1 C ATOM 2160 CB LYS B 6574.088 −60.702 −27.656 1.00 104.76 MOL1 C ATOM 2161 CG LYS B 65 73.871−60.958 −26.173 1.00 110.85 MOL1 C ATOM 2162 CD LYS B 65 73.555 −62.413−25.871 1.00 117.47 MOL1 C ATOM 2163 CE LYS B 65 73.388 −62.625 −24.3671.00 119.04 MOL1 C ATOM 2164 NZ LYS B 65 73.094 −64.045 −24.021 1.00118.64 MOL1 N ATOM 2165 C LYS B 65 75.684 −58.793 −27.376 1.00 104.37MOL1 C ATOM 2166 O LYS B 65 76.731 −58.921 −28.021 1.00 103.03 MOL1 OATOM 2167 N GLY B 66 75.646 −58.274 −26.154 1.00 102.25 MOL1 N ATOM 2168CA GLY B 66 76.865 −57.819 −25.520 1.00 101.34 MOL1 C ATOM 2169 C GLY B66 77.301 −56.469 −26.061 1.00 100.26 MOL1 C ATOM 2170 O GLY B 66 77.736−55.601 −25.293 1.00 102.10 MOL1 O ATOM 2171 N ARG B 67 77.177 −56.288−27.377 1.00 94.56 MOL1 N ATOM 2172 CA ARG B 67 77.562 −55.039 −28.0371.00 91.19 MOL1 C ATOM 2173 CB ARG B 67 77.781 −55.274 −29.532 1.0092.23 MOL1 C ATOM 2174 CG ARG B 67 78.604 −56.509 −29.831 1.00 96.75MOL1 C ATOM 2175 CD ARG B 67 79.057 −56.587 −31.285 1.00 97.01 MOL1 CATOM 2176 NE ARG B 67 77.961 −56.587 −32.252 1.00 92.98 MOL1 N ATOM 2177CZ ARG B 67 77.561 −55.515 −32.927 1.00 90.72 MOL1 C ATOM 2178 NH1 ARG B67 76.560 −55.610 −33.789 1.00 92.03 MOL1 N ATOM 2179 NH2 ARG B 6778.165 −54.348 −32.746 1.00 87.27 MOL1 N ATOM 2180 C ARG B 67 76.520−53.937 −27.842 1.00 89.64 MOL1 C ATOM 2181 O ARG B 67 76.863 −52.764−27.696 1.00 82.64 MOL1 O ATOM 2182 N PHE B 68 75.245 −54.315 −27.8531.00 90.14 MOL1 N ATOM 2183 CA PHE B 68 74.174 −53.345 −27.653 1.0088.75 MOL1 C ATOM 2184 CB PHE B 68 73.011 −53.548 −28.633 1.00 93.55MOL1 C ATOM 2185 CG PHE B 68 73.251 −53.011 −30.017 1.00 93.67 MOL1 CATOM 2186 CD1 PHE B 68 74.102 −51.950 −30.237 1.00 92.74 MOL1 C ATOM2187 CD2 PHE B 68 72.587 −53.558 −31.099 1.00 91.80 MOL1 C ATOM 2188 CE1PHE B 68 74.280 −51.455 −31.512 1.00 92.25 MOL1 C ATOM 2189 CE2 PHE B 6872.766 −53.062 −32.366 1.00 91.38 MOL1 C ATOM 2190 CZ PHE B 68 73.613−52.009 −32.573 1.00 91.73 MOL1 C ATOM 2191 C PHE B 68 73.609 −53.489−26.255 1.00 86.27 MOL1 C ATOM 2192 O PHE B 68 73.826 −54.497 −25.5801.00 85.81 MOL1 O ATOM 2193 N THR B 69 72.862 −52.475 −25.839 1.00 82.42MOL1 N ATOM 2194 CA THR B 69 72.224 −52.481 −24.534 1.00 85.27 MOL1 CATOM 2195 CB THR B 69 73.225 −52.072 −23.422 1.00 89.83 MOL1 C ATOM 2196OG1 THR B 69 74.120 −53.164 −23.171 1.00 91.62 MOL1 O ATOM 2197 CG2 THRB 69 72.494 −51.712 −22.127 1.00 88.90 MOL1 C ATOM 2198 C THR B 6970.993 −51.571 −24.512 1.00 84.21 MOL1 C ATOM 2199 O THR B 69 71.096−50.352 −24.666 1.00 84.76 MOL1 O ATOM 2200 N ILE B 70 69.822 −52.180−24.333 1.00 81.35 MOL1 N ATOM 2201 CA ILE B 70 68.563 −51.442 −24.2911.00 77.85 MOL1 C ATOM 2202 CB ILE B 70 67.428 −52.236 −24.926 1.0077.51 MOL1 C ATOM 2203 CG2 ILE B 70 67.296 −53.573 −24.230 1.00 65.98MOL1 C ATOM 2204 CG1 ILE B 70 66.131 −51.420 −24.857 1.00 78.19 MOL1 CATOM 2205 CD1 ILE B 70 64.973 −52.037 −25.623 1.00 80.92 MOL1 C ATOM2206 C ILE B 70 68.159 −51.120 −22.862 1.00 78.88 MOL1 C ATOM 2207 O ILEB 70 68.299 −51.946 −21.964 1.00 78.72 MOL1 O ATOM 2208 N SER B 7167.629 −49.923 −22.656 1.00 79.84 MOL1 N ATOM 2209 CA SER B 71 67.240−49.507 −21.318 1.00 81.01 MOL1 C ATOM 2210 CB SER B 71 68.453 −48.931−20.618 1.00 85.85 MOL1 C ATOM 2211 OG SER B 71 68.959 −47.846 −21.3801.00 88.29 MOL1 O ATOM 2212 C SER B 71 66.149 −48.450 −21.343 1.00 81.45MOL1 C ATOM 2213 O SER B 71 65.978 −47.756 −22.342 1.00 83.47 MOL1 OATOM 2214 N ARG B 72 65.424 −48.311 −20.235 1.00 79.53 MOL1 N ATOM 2215CA ARG B 72 64.360 −47.312 −20.156 1.00 75.39 MOL1 C ATOM 2216 CB ARG B72 62.994 −47.955 −20.366 1.00 74.44 MOL1 C ATOM 2217 CG ARG B 72 62.578−48.879 −19.254 1.00 72.98 MOL1 C ATOM 2218 CD ARG B 72 61.431 −49.766−19.681 1.00 73.00 MOL1 C ATOM 2219 NE ARG B 72 60.224 −49.014 −20.0041.00 74.85 MOL1 N ATOM 2220 CZ ARG B 72 59.201 −49.538 −20.670 1.0079.77 MOL1 C ATOM 2221 NH1 ARG B 72 59.263 −50.803 −21.070 1.00 79.23MOL1 N ATOM 2222 NH2 ARG B 72 58.128 −48.807 −20.944 1.00 76.87 MOL1 NATOM 2223 C ARG B 72 64.368 −46.587 −18.826 1.00 73.41 MOL1 C ATOM 2224O ARG B 72 65.080 −46.979 −17.904 1.00 73.02 MOL1 O ATOM 2225 N ASP B 7363.554 −45.539 −18.740 1.00 74.36 MOL1 N ATOM 2226 CA ASP B 73 63.448−44.701 −17.550 1.00 81.05 MOL1 C ATOM 2227 CB ASP B 73 63.675 −43.243−17.955 1.00 83.64 MOL1 C ATOM 2228 CG ASP B 73 64.128 −42.366 −16.7971.00 92.05 MOL1 C ATOM 2229 OD1 ASP B 73 64.058 −41.122 −16.932 1.0094.63 MOL1 O ATOM 2230 OD2 ASP B 73 64.569 −42.909 −15.760 1.00 96.29MOL1 O ATOM 2231 C ASP B 73 62.082 −44.815 −16.854 1.00 86.43 MOL1 CATOM 2232 O ASP B 73 62.000 −44.913 −15.622 1.00 92.37 MOL1 O ATOM 2233N ASN B 74 61.016 −44.798 −17.648 1.00 86.94 MOL1 N ATOM 2234 CA ASN B74 59.648 −44.868 −17.138 1.00 85.28 MOL1 C ATOM 2235 CB ASN B 74 59.461−45.995 −16.123 1.00 85.17 MOL1 C ATOM 2236 CG ASN B 74 59.699 −47.366−16.723 1.00 88.63 MOL1 C ATOM 2237 OD1 ASN B 74 60.796 −47.914 −16.6241.00 91.67 MOL1 O ATOM 2238 ND2 ASN B 74 58.676 −47.925 −17.357 1.0089.10 MOL1 N ATOM 2239 C ASN B 74 59.337 −43.538 −16.493 1.00 87.31 MOL1C ATOM 2240 O ASN B 74 58.180 −43.192 −16.275 1.00 89.89 MOL1 O ATOM2241 N ALA B 75 60.389 −42.806 −16.164 1.00 90.07 MOL1 N ATOM 2242 CAALA B 75 60.256 −41.469 −15.611 1.00 92.90 MOL1 C ATOM 2243 CB ALA B 7561.235 −41.264 −14.466 1.00 92.92 MOL1 C ATOM 2244 C ALA B 75 60.701−40.707 −16.850 1.00 96.53 MOL1 C ATOM 2245 O ALA B 75 61.474 −41.246−17.651 1.00 95.38 MOL1 O ATOM 2246 N LYS B 76 60.212 −39.489 −17.0511.00 98.10 MOL1 N ATOM 2247 CA LYS B 76 60.616 −38.745 −18.247 1.00102.03 MOL1 C ATOM 2248 CB LYS B 76 62.130 −38.474 −18.242 1.00 108.64MOL1 C ATOM 2249 CG LYS B 76 62.651 −37.617 −17.097 1.00 119.35 MOL1 CATOM 2250 CD LYS B 76 64.154 −37.329 −17.254 1.00 121.07 MOL1 C ATOM2251 CE LYS B 76 64.445 −36.455 −18.478 1.00 122.47 MOL1 C ATOM 2252 NZLYS B 76 65.893 −36.117 −18.612 1.00 120.70 MOL1 N ATOM 2253 C LYS B 7660.284 −39.513 −19.541 1.00 98.96 MOL1 C ATOM 2254 O LYS B 76 60.682−39.091 −20.635 1.00 98.32 MOL1 O ATOM 2255 N ASN B 77 59.594 −40.649−19.406 1.00 92.93 MOL1 N ATOM 2256 CA ASN B 77 59.181 −41.484 −20.5411.00 83.37 MOL1 C ATOM 2257 CB ASN B 77 57.922 −40.899 −21.192 1.0084.04 MOL1 C ATOM 2258 CG ASN B 77 56.797 −40.662 −20.205 1.00 82.21MOL1 C ATOM 2259 OD1 ASN B 77 55.857 −39.916 −20.491 1.00 79.91 MOL1 OATOM 2260 ND2 ASN B 77 56.878 −41.301 −19.046 1.00 85.38 MOL1 N ATOM2261 C ASN B 77 60.242 −41.606 −21.629 1.00 78.60 MOL1 C ATOM 2262 O ASNB 77 60.103 −40.983 −22.682 1.00 81.00 MOL1 O ATOM 2263 N SER B 7861.286 −42.398 −21.416 1.00 66.48 MOL1 N ATOM 2264 CA SER B 78 62.295−42.502 −22.458 1.00 55.65 MOL1 C ATOM 2265 CB SER B 78 63.417 −41.496−22.208 1.00 50.88 MOL1 C ATOM 2266 OG SER B 78 62.949 −40.162 −22.3481.00 50.06 MOL1 O ATOM 2267 C SER B 78 62.876 −43.880 −22.645 1.00 55.66MOL1 C ATOM 2268 O SER B 78 63.030 −44.640 −21.694 1.00 58.81 MOL1 OATOM 2269 N LEU B 79 63.195 −44.195 −23.895 1.00 56.03 MOL1 N ATOM 2270CA LEU B 79 63.763 −45.484 −24.252 1.00 55.87 MOL1 C ATOM 2271 CB LEU B79 62.862 −46.194 −25.238 1.00 50.03 MOL1 C ATOM 2272 CG LEU B 79 63.500−47.475 −25.721 1.00 55.46 MOL1 C ATOM 2273 CD1 LEU B 79 63.850 −48.333−24.526 1.00 49.32 MOL1 C ATOM 2274 CD2 LEU B 79 62.548 −48.181 −26.6681.00 63.53 MOL1 C ATOM 2275 C LEU B 79 65.125 −45.234 −24.877 1.00 61.11MOL1 C ATOM 2276 O LEU B 79 65.275 −44.350 −25.717 1.00 64.98 MOL1 OATOM 2277 N TYR B 80 66.113 −46.024 −24.472 1.00 65.65 MOL1 N ATOM 2278CA TYR B 80 67.480 −45.851 −24.946 1.00 61.24 MOL1 C ATOM 2279 CB TYR B80 68.356 −45.415 −23.779 1.00 61.18 MOL1 C ATOM 2280 CG TYR B 80 67.859−44.220 −23.016 1.00 58.98 MOL1 C ATOM 2281 CD1 TYR B 80 67.927 −42.957−23.570 1.00 62.20 MOL1 C ATOM 2282 CE1 TYR B 80 67.500 −41.848 −22.8741.00 69.50 MOL1 C ATOM 2283 CD2 TYR B 80 67.342 −44.352 −21.733 1.0056.61 MOL1 C ATOM 2284 CE2 TYR B 80 66.909 −43.245 −21.026 1.00 63.76MOL1 C ATOM 2285 CZ TYR B 80 66.992 −41.991 −21.607 1.00 66.48 MOL1 CATOM 2286 OH TYR B 80 66.566 −40.862 −20.946 1.00 68.86 MOL1 O ATOM 2287C TYR B 80 68.114 −47.098 −25.536 1.00 61.79 MOL1 C ATOM 2288 O TYR B 8067.772 −48.225 −25.165 1.00 63.10 MOL1 O ATOM 2289 N LEU B 81 69.059−46.882 −26.447 1.00 59.82 MOL1 N ATOM 2290 CA LEU B 81 69.812 −47.982−27.036 1.00 61.74 MOL1 C ATOM 2291 CB LEU B 81 69.406 −48.262 −28.4861.00 56.22 MOL1 C ATOM 2292 CG LEU B 81 70.141 −49.486 −29.055 1.0046.81 MOL1 C ATOM 2293 CD1 LEU B 81 69.833 −50.675 −28.204 1.00 41.50MOL1 C ATOM 2294 CD2 LEU B 81 69.740 −49.759 −30.483 1.00 47.33 MOL1 CATOM 2295 C LEU B 81 71.288 −47.608 −26.990 1.00 65.52 MOL1 C ATOM 2296O LEU B 81 71.699 −46.578 −27.524 1.00 64.49 MOL1 O ATOM 2297 N GLN B 8272.077 −48.443 −26.325 1.00 70.88 MOL1 N ATOM 2298 CA GLN B 82 73.512−48.225 −26.198 1.00 73.73 MOL1 C ATOM 2299 CB GLN B 82 73.973 −48.589−24.790 1.00 76.90 MOL1 C ATOM 2300 CG GLN B 82 75.325 −48.035 −24.4291.00 79.20 MOL1 C ATOM 2301 CD GLN B 82 75.358 −46.529 −24.538 1.0083.44 MOL1 C ATOM 2302 OE1 GLN B 82 74.528 −45.832 −23.948 1.00 86.30MOL1 O ATOM 2303 NE2 GLN B 82 76.319 −46.015 −25.294 1.00 84.32 MOL1 NATOM 2304 C GLN B 82 74.216 −49.120 −27.206 1.00 77.08 MOL1 C ATOM 2305O GLN B 82 74.270 −50.352 −27.046 1.00 77.12 MOL1 O ATOM 2306 N MET B 8374.763 −48.491 −28.237 1.00 75.62 MOL1 N ATOM 2307 CA MET B 83 75.442−49.207 −29.293 1.00 79.14 MOL1 C ATOM 2308 CB MET B 83 74.988 −48.633−30.626 1.00 79.62 MOL1 C ATOM 2309 CG MET B 83 73.469 −48.606 −30.7531.00 77.11 MOL1 C ATOM 2310 SD MET B 83 72.892 −48.228 −32.398 1.0076.47 MOL1 S ATOM 2311 CE MET B 83 73.300 −46.496 −32.473 1.00 77.56MOL1 C ATOM 2312 C MET B 83 76.956 −49.133 −29.165 1.00 84.61 MOL1 CATOM 2313 O MET B 83 77.557 −48.105 −29.477 1.00 82.10 MOL1 O ATOM 2314N ASN B 84 77.563 −50.228 −28.701 1.00 90.93 MOL1 N ATOM 2315 CA ASN B84 79.016 −50.311 −28.526 1.00 94.51 MOL1 C ATOM 2316 CB ASN B 84 79.376−50.905 −27.155 1.00 95.79 MOL1 C ATOM 2317 CG ASN B 84 78.835 −50.094−25.989 1.00 96.64 MOL1 C ATOM 2318 OD1 ASN B 84 79.009 −48.873 −25.9281.00 96.83 MOL1 O ATOM 2319 ND2 ASN B 84 78.190 −50.779 −25.042 1.0094.23 MOL1 N ATOM 2320 C ASN B 84 79.627 −51.206 −29.603 1.00 96.78 MOL1C ATOM 2321 O ASN B 84 78.947 −52.075 −30.152 1.00 98.20 MOL1 O ATOM2322 N SER B 85 80.912 −50.999 −29.888 1.00 97.63 MOL1 N ATOM 2323 CASER B 85 81.625 −51.803 −30.880 1.00 98.44 MOL1 C ATOM 2324 CB SER B 8581.849 −53.222 −30.333 1.00 102.16 MOL1 C ATOM 2325 OG SER B 85 82.641−54.008 −31.207 1.00 106.22 MOL1 O ATOM 2326 C SER B 85 80.842 −51.855−32.186 1.00 95.62 MOL1 C ATOM 2327 O SER B 85 80.756 −52.895 −32.8441.00 96.27 MOL1 O ATOM 2328 N LEU B 86 80.274 −50.718 −32.559 1.00 91.53MOL1 N ATOM 2329 CA LEU B 86 79.482 −50.633 −33.774 1.00 91.52 MOL1 CATOM 2330 CB LEU B 86 79.114 −49.172 −34.058 1.00 90.47 MOL1 C ATOM 2331CG LEU B 86 77.932 −48.622 −33.253 1.00 87.14 MOL1 C ATOM 2332 CD1 LEU B86 77.789 −47.125 −33.449 1.00 82.82 MOL1 C ATOM 2333 CD2 LEU B 8676.673 −49.345 −33.693 1.00 84.80 MOL1 C ATOM 2334 C LEU B 86 80.153−51.231 −34.997 1.00 89.27 MOL1 C ATOM 2335 O LEU B 86 81.104 −50.667−35.517 1.00 86.74 MOL1 O ATOM 2336 N ARG B 87 79.656 −52.379 −35.4461.00 91.09 MOL1 N ATOM 2337 CA ARG B 87 80.190 −53.022 −36.641 1.0093.95 MOL1 C ATOM 2338 CB ARG B 87 79.627 −54.444 −36.801 1.00 100.00MOL1 C ATOM 2339 CG ARG B 87 79.675 −55.332 −35.556 1.00 111.29 MOL1 CATOM 2340 CD ARG B 87 81.094 −55.636 −35.096 1.00 124.71 MOL1 C ATOM2341 NE ARG B 87 81.114 −56.577 −33.973 1.00 136.98 MOL1 N ATOM 2342 CZARG B 87 82.197 −56.881 −33.258 1.00 142.47 MOL1 C ATOM 2343 NH1 ARG B87 83.366 −56.317 −33.542 1.00 145.24 MOL1 N ATOM 2344 NH2 ARG B 8782.112 −57.746 −32.252 1.00 142.45 MOL1 N ATOM 2345 C ARG B 87 79.706−52.153 −37.807 1.00 91.66 MOL1 C ATOM 2346 O ARG B 87 79.058 −51.135−37.591 1.00 87.56 MOL1 O ATOM 2347 N ALA B 88 80.005 −52.549 −39.0381.00 94.65 MOL1 N ATOM 2348 CA ALA B 88 79.567 −51.769 −40.193 1.0095.57 MOL1 C ATOM 2349 CB ALA B 88 80.627 −51.802 −41.291 1.00 98.24MOL1 C ATOM 2350 C ALA B 88 78.236 −52.291 −40.725 1.00 95.75 MOL1 CATOM 2351 O ALA B 88 77.481 −51.559 −41.361 1.00 92.75 MOL1 O ATOM 2352N GLU B 89 77.953 −53.561 −40.462 1.00 96.30 MOL1 N ATOM 2353 CA GLU B89 76.707 −54.154 −40.905 1.00 97.62 MOL1 C ATOM 2354 CB GLU B 89 76.835−55.684 −40.919 1.00 106.24 MOL1 C ATOM 2355 CG GLU B 89 77.211 −56.320−39.581 1.00 120.92 MOL1 C ATOM 2356 CD GLU B 89 76.088 −57.184 −38.9881.00 130.30 MOL1 C ATOM 2357 OE1 GLU B 89 76.312 −57.809 −37.924 1.00131.94 MOL1 O ATOM 2358 OE2 GLU B 89 74.984 −57.240 −39.583 1.00 133.92MOL1 O ATOM 2359 C GLU B 89 75.562 −53.700 −39.989 1.00 94.40 MOL1 CATOM 2360 O GLU B 89 74.442 −54.207 −40.067 1.00 95.94 MOL1 O ATOM 2361N ASP B 90 75.848 −52.724 −39.131 1.00 89.39 MOL1 N ATOM 2362 CA ASP B90 74.857 −52.193 −38.199 1.00 83.27 MOL1 C ATOM 2363 CB ASP B 90 75.499−51.873 −36.842 1.00 85.32 MOL1 C ATOM 2364 CG ASP B 90 75.718 −53.110−35.974 1.00 91.03 MOL1 C ATOM 2365 OD1 ASP B 90 75.267 −54.217 −36.3571.00 89.00 MOL1 O ATOM 2366 OD2 ASP B 90 76.340 −52.964 −34.894 1.0088.62 MOL1 O ATOM 2367 C ASP B 90 74.206 −50.924 −38.716 1.00 79.69 MOL1C ATOM 2368 O ASP B 90 73.295 −50.399 −38.088 1.00 78.86 MOL1 O ATOM2369 N THR B 91 74.686 −50.420 −39.848 1.00 78.76 MOL1 N ATOM 2370 CATHR B 91 74.142 −49.194 −40.433 1.00 73.34 MOL1 C ATOM 2371 CB THR B 9174.872 −48.823 −41.706 1.00 68.24 MOL1 C ATOM 2372 OG1 THR B 91 76.279−48.980 −41.516 1.00 69.85 MOL1 O ATOM 2373 CG2 THR B 91 74.572 −47.409−42.073 1.00 62.10 MOL1 C ATOM 2374 C THR B 91 72.679 −49.375 −40.8081.00 76.36 MOL1 C ATOM 2375 O THR B 91 72.315 −50.390 −41.410 1.00 81.79MOL1 O ATOM 2376 N ALA B 92 71.846 −48.395 −40.465 1.00 70.36 MOL1 NATOM 2377 CA ALA B 92 70.423 −48.463 −40.783 1.00 66.19 MOL1 C ATOM 2378CB ALA B 92 69.854 −49.814 −40.373 1.00 64.76 MOL1 C ATOM 2379 C ALA B92 69.651 −47.370 −40.081 1.00 64.77 MOL1 C ATOM 2380 O ALA B 92 70.229−46.506 −39.420 1.00 67.65 MOL1 O ATOM 2381 N VAL B 93 68.334 −47.393−40.250 1.00 60.04 MOL1 N ATOM 2382 CA VAL B 93 67.507 −46.435 −39.5551.00 54.68 MOL1 C ATOM 2383 CB VAL B 93 66.386 −45.886 −40.390 1.0052.41 MOL1 C ATOM 2384 CG1 VAL B 93 65.218 −45.538 −39.484 1.00 51.63MOL1 C ATOM 2385 CG2 VAL B 93 66.852 −44.630 −41.082 1.00 54.11 MOL1 CATOM 2386 C VAL B 93 66.917 −47.182 −38.382 1.00 55.09 MOL1 C ATOM 2387O VAL B 93 66.327 −48.256 −38.529 1.00 53.60 MOL1 O ATOM 2388 N TYR B 9467.112 −46.622 −37.202 1.00 52.57 MOL1 N ATOM 2389 CA TYR B 94 66.617−47.261 −36.021 1.00 47.72 MOL1 C ATOM 2390 CB TYR B 94 67.615 −47.108−34.885 1.00 48.04 MOL1 C ATOM 2391 CG TYR B 94 68.771 −48.070 −35.0321.00 52.97 MOL1 C ATOM 2392 CD1 TYR B 94 69.714 −47.909 −36.045 1.0058.49 MOL1 C ATOM 2393 CE1 TYR B 94 70.727 −48.831 −36.233 1.00 62.20MOL1 C ATOM 2394 CD2 TYR B 94 68.880 −49.182 −34.209 1.00 50.31 MOL1 CATOM 2395 CE2 TYR B 94 69.882 −50.112 −34.389 1.00 56.78 MOL1 C ATOM2396 CZ TYR B 94 70.802 −49.935 −35.401 1.00 64.78 MOL1 C ATOM 2397 OHTYR B 94 71.788 −50.876 −35.585 1.00 67.91 MOL1 O ATOM 2398 C TYR B 9465.277 −46.716 −35.648 1.00 47.66 MOL1 C ATOM 2399 O TYR B 94 65.106−45.509 −35.519 1.00 47.18 MOL1 O ATOM 2400 N TYR B 95 64.330 −47.642−35.499 1.00 47.28 MOL1 N ATOM 2401 CA TYR B 95 62.946 −47.356 −35.1461.00 42.92 MOL1 C ATOM 2402 CB TYR B 95 62.009 −48.074 −36.112 1.0041.96 MOL1 C ATOM 2403 CG TYR B 95 61.952 −47.495 −37.503 1.00 36.03MOL1 C ATOM 2404 CD1 TYR B 95 62.216 −48.286 −38.610 1.00 31.42 MOL1 CATOM 2405 CE1 TYR B 95 62.135 −47.770 −39.894 1.00 31.36 MOL1 C ATOM2406 CD2 TYR B 95 61.605 −46.169 −37.714 1.00 32.69 MOL1 C ATOM 2407 CE2TYR B 95 61.523 −45.649 −38.990 1.00 30.52 MOL1 C ATOM 2408 CZ TYR B 9561.791 −46.452 −40.079 1.00 31.84 MOL1 C ATOM 2409 OH TYR B 95 61.740−45.936 −41.358 1.00 37.32 MOL1 O ATOM 2410 C TYR B 95 62.565 −47.757−33.716 1.00 44.74 MOL1 C ATOM 2411 O TYR B 95 62.956 −48.813 −33.2081.00 43.15 MOL1 O ATOM 2412 N CYS B 96 61.769 −46.898 −33.096 1.00 42.45MOL1 N ATOM 2413 CA CYS B 96 61.280 −47.080 −31.742 1.00 48.18 MOL1 CATOM 2414 C CYS B 96 59.858 −47.591 −31.935 1.00 45.66 MOL1 C ATOM 2415O CYS B 96 59.094 −46.997 −32.686 1.00 52.35 MOL1 O ATOM 2416 CB CYS B96 61.289 −45.712 −31.041 1.00 56.99 MOL1 C ATOM 2417 SG CYS B 96 60.788−45.606 −29.285 1.00 75.20 MOL1 S ATOM 2418 N ALA B 97 59.486 −48.680−31.275 1.00 45.29 MOL1 N ATOM 2419 CA ALA B 97 58.133 −49.219 −31.4621.00 48.97 MOL1 C ATOM 2420 CB ALA B 97 58.159 −50.387 −32.454 1.0050.04 MOL1 C ATOM 2421 C ALA B 97 57.430 −49.675 −30.198 1.00 51.55 MOL1C ATOM 2422 O ALA B 97 57.971 −50.473 −29.418 1.00 53.04 MOL1 O ATOM2423 N SER B 98 56.201 −49.201 −30.011 1.00 48.82 MOL1 N ATOM 2424 CASER B 98 55.446 −49.593 −28.830 1.00 49.76 MOL1 C ATOM 2425 CB SER B 9854.932 −48.364 −28.088 1.00 52.60 MOL1 C ATOM 2426 OG SER B 98 53.682−47.961 −28.593 1.00 57.72 MOL1 O ATOM 2427 C SER B 98 54.279 −50.490−29.191 1.00 48.56 MOL1 C ATOM 2428 O SER B 98 53.865 −50.547 −30.3371.00 56.57 MOL1 O ATOM 2429 N PRO B 99 53.742 −51.225 −28.215 1.00 48.25MOL1 N ATOM 2430 CD PRO B 99 54.274 −51.498 −26.872 1.00 43.96 MOL1 CATOM 2431 CA PRO B 99 52.610 −52.100 −28.520 1.00 49.92 MOL1 C ATOM 2432CB PRO B 99 52.755 −53.200 −27.486 1.00 51.02 MOL1 C ATOM 2433 CG PRO B99 53.243 −52.431 −26.296 1.00 49.83 MOL1 C ATOM 2434 C PRO B 99 51.284−51.323 −28.417 1.00 49.50 MOL1 C ATOM 2435 O PRO B 99 51.265 −50.148−28.028 1.00 42.62 MOL1 O ATOM 2436 N PRO B 100 50.164 −51.973 −28.7661.00 49.50 MOL1 N ATOM 2437 CD PRO B 100 50.098 −53.401 −29.117 1.0051.43 MOL1 C ATOM 2438 CA PRO B 100 48.817 −51.394 −28.741 1.00 51.65MOL1 C ATOM 2439 CB PRO B 100 47.961 −52.496 −29.362 1.00 47.03 MOL1 CATOM 2440 CG PRO B 100 48.628 −53.716 −28.901 1.00 49.55 MOL1 C ATOM2441 C PRO B 100 48.306 −50.961 −27.374 1.00 53.54 MOL1 C ATOM 2442 OPRO B 100 48.489 −51.655 −26.386 1.00 51.78 MOL1 O ATOM 2443 N GLN B 10147.658 −49.799 −27.351 1.00 61.09 MOL1 N ATOM 2444 CA GLN B 101 47.094−49.205 −26.147 1.00 61.80 MOL1 C ATOM 2445 CB GLN B 101 46.495 −47.829−26.477 1.00 74.11 MOL1 C ATOM 2446 CG GLN B 101 47.203 −47.058 −27.6211.00 89.30 MOL1 C ATOM 2447 CD GLN B 101 46.706 −47.425 −29.055 1.0096.41 MOL1 C ATOM 2448 OE1 GLN B 101 46.819 −48.574 −29.511 1.00 84.58MOL1 O ATOM 2449 NE2 GLN B 101 46.167 −46.427 −29.763 1.00 98.03 MOL1 NATOM 2450 C GLN B 101 46.026 −50.122 −25.538 1.00 61.51 MOL1 C ATOM 2451O GLN B 101 45.799 −50.078 −24.329 1.00 66.28 MOL1 O ATOM 2452 N TYR B102 45.340 −50.926 −26.355 1.00 57.93 MOL1 N ATOM 2453 CA TYR B 10244.368 −51.870 −25.795 1.00 58.68 MOL1 C ATOM 2454 CB TYR B 102 43.306−52.305 −26.814 1.00 59.50 MOL1 C ATOM 2455 CG TYR B 102 43.723 −52.267−28.270 1.00 67.62 MOL1 C ATOM 2456 CD1 TYR B 102 43.665 −53.410 −29.0541.00 73.12 MOL1 C ATOM 2457 CE1 TYR B 102 44.086 −53.404 −30.379 1.0070.43 MOL1 C ATOM 2458 CD2 TYR B 102 44.205 −51.104 −28.855 1.00 67.71MOL1 C ATOM 2459 CE2 TYR B 102 44.629 −51.089 −30.179 1.00 70.68 MOL1 CATOM 2460 CZ TYR B 102 44.574 −52.244 −30.930 1.00 68.95 MOL1 C ATOM2461 OH TYR B 102 45.076 −52.264 −32.208 1.00 70.49 MOL1 O ATOM 2462 CTYR B 102 45.219 −53.056 −25.344 1.00 62.41 MOL1 C ATOM 2463 O TYR B 10246.342 −52.854 −24.889 1.00 72.10 MOL1 O ATOM 2464 N TYR B 103 44.734−54.282 −25.442 1.00 56.35 MOL1 N ATOM 2465 CA TYR B 103 45.562 −55.419−25.004 1.00 55.06 MOL1 C ATOM 2466 CB TYR B 103 46.477 −55.850 −26.1391.00 39.42 MOL1 C ATOM 2467 CG TYR B 103 45.779 −56.647 −27.189 1.0040.53 MOL1 C ATOM 2468 CD1 TYR B 103 45.431 −57.966 −26.965 1.00 40.77MOL1 C ATOM 2469 CE1 TYR B 103 44.739 −58.689 −27.913 1.00 39.01 MOL1 CATOM 2470 CD2 TYR B 103 45.421 −56.073 −28.389 1.00 37.07 MOL1 C ATOM2471 CE2 TYR B 103 44.725 −56.785 −29.340 1.00 37.65 MOL1 C ATOM 2472 CZTYR B 103 44.385 −58.092 −29.098 1.00 40.30 MOL1 C ATOM 2473 OH TYR B103 43.664 −58.795 −30.040 1.00 45.78 MOL1 O ATOM 2474 C TYR B 10346.438 −55.312 −23.731 1.00 61.14 MOL1 C ATOM 2475 O TYR B 103 45.971−55.407 −22.597 1.00 62.53 MOL1 O ATOM 2476 N GLU B 104 47.731 −55.126−23.953 1.00 71.54 MOL1 N ATOM 2477 CA GLU B 104 48.736 −55.073 −22.8921.00 75.42 MOL1 C ATOM 2478 CB GLU B 104 48.692 −53.817 −22.049 1.0078.09 MOL1 C ATOM 2479 CG GLU B 104 50.036 −53.557 −21.290 1.00 87.24MOL1 C ATOM 2480 CD GLU B 104 50.854 −54.815 −20.883 1.00 86.28 MOL1 CATOM 2481 OE1 GLU B 104 51.228 −55.640 −21.750 1.00 77.83 MOL1 O ATOM2482 OE2 GLU B 104 51.150 −54.965 −19.675 1.00 86.79 MOL1 O ATOM 2483 CGLU B 104 48.567 −56.198 −21.930 1.00 76.64 MOL1 C ATOM 2484 O GLU B 10448.897 −57.337 −22.238 1.00 78.00 MOL1 O ATOM 2485 N GLY B 105 48.055−55.851 −20.751 1.00 82.01 MOL1 N ATOM 2486 CA GLY B 105 47.872 −56.824−19.687 1.00 92.10 MOL1 C ATOM 2487 C GLY B 105 49.226 −57.315 −19.1721.00 95.69 MOL1 C ATOM 2488 O GLY B 105 49.336 −57.738 −18.017 1.0097.30 MOL1 O ATOM 2489 N SER B 106 50.234 −57.239 −20.055 1.00 91.89MOL1 N ATOM 2490 CA SER B 106 51.622 −57.640 −19.842 1.00 80.13 MOL1 CATOM 2491 CB SER B 106 51.757 −58.534 −18.624 1.00 86.39 MOL1 C ATOM2492 OG SER B 106 51.584 −57.772 −17.440 1.00 101.06 MOL1 O ATOM 2493 CSER B 106 52.076 −58.392 −21.075 1.00 76.46 MOL1 C ATOM 2494 O SER B 10653.261 −58.468 −21.354 1.00 80.98 MOL1 O ATOM 2495 N ILE B 107 51.106−58.931 −21.808 1.00 72.52 MOL1 N ATOM 2496 CA ILE B 107 51.317 −59.712−23.026 1.00 69.30 MOL1 C ATOM 2497 CB ILE B 107 50.163 −59.504 −24.0091.00 63.37 MOL1 C ATOM 2498 CG2 ILE B 107 50.364 −60.364 −25.232 1.0069.72 MOL1 C ATOM 2499 CG1 ILE B 107 48.850 −59.916 −23.365 1.00 57.52MOL1 C ATOM 2500 CD1 ILE B 107 47.709 −59.969 −24.330 1.00 59.21 MOL1 CATOM 2501 C ILE B 107 52.626 −59.449 −23.762 1.00 75.37 MOL1 C ATOM 2502O ILE B 107 52.846 −58.365 −24.315 1.00 80.43 MOL1 O ATOM 2503 N TYR B108 53.491 −60.459 −23.799 1.00 76.32 MOL1 N ATOM 2504 CA TYR B 10854.787 −60.298 −24.446 1.00 70.22 MOL1 C ATOM 2505 CB TYR B 108 55.791−61.316 −23.879 1.00 72.00 MOL1 C ATOM 2506 CG TYR B 108 57.129 −61.320−24.581 1.00 68.39 MOL1 C ATOM 2507 CD1 TYR B 108 57.881 −60.166 −24.6811.00 67.40 MOL1 C ATOM 2508 CE1 TYR B 108 59.066 −60.144 −25.388 1.0068.09 MOL1 C ATOM 2509 CD2 TYR B 108 57.606 −62.465 −25.201 1.00 70.66MOL1 C ATOM 2510 CE2 TYR B 108 58.787 −62.454 −25.910 1.00 73.27 MOL1 CATOM 2511 CZ TYR B 108 59.513 −61.286 −26.007 1.00 73.12 MOL1 C ATOM2512 OH TYR B 108 60.659 −61.241 −26.779 1.00 78.13 MOL1 O ATOM 2513 CTYR B 108 54.763 −60.376 −25.966 1.00 63.70 MOL1 C ATOM 2514 O TYR B 10855.273 −59.478 −26.626 1.00 63.97 MOL1 O ATOM 2515 N ARG B 109 54.155−61.425 −26.510 1.00 56.91 MOL1 N ATOM 2516 CA ARG B 109 54.105 −61.642−27.958 1.00 58.47 MOL1 C ATOM 2517 CB ARG B 109 53.480 −63.008 −28.2211.00 69.08 MOL1 C ATOM 2518 CG ARG B 109 53.583 −63.920 −27.003 1.0081.72 MOL1 C ATOM 2519 CD ARG B 109 54.439 −65.146 −27.246 1.00 89.25MOL1 C ATOM 2520 NE ARG B 109 54.686 −65.846 −25.985 1.00 103.95 MOL1 NATOM 2521 CZ ARG B 109 55.168 −67.084 −25.885 1.00 107.07 MOL1 C ATOM2522 NH1 ARG B 109 55.456 −67.775 −26.983 1.00 108.09 MOL1 N ATOM 2523NH2 ARG B 109 55.362 −67.629 −24.683 1.00 102.84 MOL1 N ATOM 2524 C ARGB 109 53.410 −60.554 −28.790 1.00 52.75 MOL1 C ATOM 2525 O ARG B 10953.235 −60.691 −30.002 1.00 47.41 MOL1 O ATOM 2526 N LEU B 110 53.047−59.465 −28.126 1.00 50.30 MOL1 N ATOM 2527 CA LEU B 110 52.395 −58.316−28.750 1.00 46.56 MOL1 C ATOM 2528 CB LEU B 110 52.212 −57.227 −27.7061.00 47.54 MOL1 C ATOM 2529 CG LEU B 110 50.759 −56.842 −27.519 1.0054.43 MOL1 C ATOM 2530 CD1 LEU B 110 49.916 −58.104 −27.459 1.00 59.21MOL1 C ATOM 2531 CD2 LEU B 110 50.610 −56.026 −26.262 1.00 47.23 MOL1 CATOM 2532 C LEU B 110 53.118 −57.698 −29.944 1.00 45.48 MOL1 C ATOM 2533O LEU B 110 54.291 −57.357 −29.876 1.00 46.46 MOL1 O ATOM 2534 N TRP B111 52.399 −57.530 −31.040 1.00 48.24 MOL1 N ATOM 2535 CA TRP B 11152.964 −56.916 −32.237 1.00 48.84 MOL1 C ATOM 2536 CB TRP B 111 51.964−57.012 −33.391 1.00 48.00 MOL1 C ATOM 2537 CG TRP B 111 50.647 −56.428−33.029 1.00 46.57 MOL1 C ATOM 2538 CD2 TRP B 111 49.580 −57.099 −32.3621.00 50.74 MOL1 C ATOM 2539 CE2 TRP B 111 48.584 −56.150 −32.102 1.0052.04 MOL1 C ATOM 2540 CE3 TRP B 111 49.373 −58.414 −31.956 1.00 54.75MOL1 C ATOM 2541 CD1 TRP B 111 50.262 −55.132 −33.152 1.00 51.34 MOL1 CATOM 2542 NE1 TRP B 111 49.018 −54.949 −32.593 1.00 52.39 MOL1 N ATOM2543 CZ2 TRP B 111 47.406 −56.477 −31.454 1.00 60.95 MOL1 C ATOM 2544CZ3 TRP B 111 48.203 −58.732 −31.314 1.00 55.14 MOL1 C ATOM 2545 CH2 TRPB 111 47.237 −57.776 −31.069 1.00 56.14 MOL1 C ATOM 2546 C TRP B 11153.129 −55.463 −31.863 1.00 50.24 MOL1 C ATOM 2547 O TRP B 111 53.102−55.116 −30.673 1.00 55.63 MOL1 O ATOM 2548 N PHE B 112 53.309 −54.598−32.851 1.00 46.77 MOL1 N ATOM 2549 CA PHE B 112 53.379 −53.205 −32.4901.00 45.05 MOL1 C ATOM 2550 CB PHE B 112 54.753 −52.826 −31.905 1.0054.59 MOL1 C ATOM 2551 CG PHE B 112 55.953 −53.481 −32.564 1.00 57.92MOL1 C ATOM 2552 CD1 PHE B 112 56.749 −54.370 −31.842 1.00 62.59 MOL1 CATOM 2553 CD2 PHE B 112 56.354 −53.130 −33.825 1.00 48.83 MOL1 C ATOM2554 CE1 PHE B 112 57.913 −54.882 −32.363 1.00 51.33 MOL1 C ATOM 2555CE2 PHE B 112 57.516 −53.645 −34.337 1.00 55.91 MOL1 C ATOM 2556 CZ PHEB 112 58.297 −54.525 −33.595 1.00 49.90 MOL1 C ATOM 2557 C PHE B 11252.935 −52.155 −33.470 1.00 42.66 MOL1 C ATOM 2558 O PHE B 112 53.405−52.088 −34.608 1.00 43.22 MOL1 O ATOM 2559 N ALA B 113 51.977 −51.358−32.997 1.00 39.22 MOL1 N ATOM 2560 CA ALA B 113 51.449 −50.220 −33.7361.00 40.32 MOL1 C ATOM 2561 CB ALA B 113 50.021 −49.963 −33.398 1.0042.03 MOL1 C ATOM 2562 C ALA B 113 52.290 −49.105 −33.185 1.00 39.72MOL1 C ATOM 2563 O ALA B 113 52.953 −49.271 −32.180 1.00 43.81 MOL1 OATOM 2564 N HIS B 114 52.277 −47.958 −33.824 1.00 44.26 MOL1 N ATOM 2565CA HIS B 114 53.095 −46.866 −33.327 1.00 47.45 MOL1 C ATOM 2566 CB HIS B114 52.703 −46.561 −31.895 1.00 47.23 MOL1 C ATOM 2567 CG HIS B 11451.233 −46.414 −31.723 1.00 51.11 MOL1 C ATOM 2568 CD2 HIS B 114 50.310−45.801 −32.496 1.00 58.42 MOL1 C ATOM 2569 ND1 HIS B 114 50.543 −47.002−30.688 1.00 54.21 MOL1 N ATOM 2570 CE1 HIS B 114 49.254 −46.761 −30.8321.00 58.58 MOL1 C ATOM 2571 NE2 HIS B 114 49.086 −46.035 −31.922 1.0067.53 MOL1 N ATOM 2572 C HIS B 114 54.597 −47.136 −33.424 1.00 46.61MOL1 C ATOM 2573 O HIS B 114 55.181 −47.914 −32.653 1.00 39.62 MOL1 OATOM 2574 N TRP B 115 55.190 −46.471 −34.410 1.00 46.04 MOL1 N ATOM 2575CA TRP B 115 56.600 −46.539 −34.686 1.00 43.95 MOL1 C ATOM 2576 CB TRP B115 56.829 −47.107 −36.088 1.00 43.82 MOL1 C ATOM 2577 CG TRP B 11556.477 −48.548 −36.286 1.00 39.43 MOL1 C ATOM 2578 CD2 TRP B 115 57.369−49.604 −36.671 1.00 41.48 MOL1 C ATOM 2579 CE2 TRP B 115 56.605 −50.784−36.769 1.00 38.25 MOL1 C ATOM 2580 CE3 TRP B 115 58.737 −49.665 −36.9411.00 37.30 MOL1 C ATOM 2581 CD1 TRP B 115 55.253 −49.112 −36.171 1.0041.90 MOL1 C ATOM 2582 NE1 TRP B 115 55.313 −50.459 −36.460 1.00 37.95MOL1 N ATOM 2583 CZ2 TRP B 115 57.162 −52.007 −37.122 1.00 29.39 MOL1 CATOM 2584 CZ3 TRP B 115 59.283 −50.880 −37.291 1.00 37.81 MOL1 C ATOM2585 CH2 TRP B 115 58.497 −52.035 −37.377 1.00 28.35 MOL1 C ATOM 2586 CTRP B 115 57.033 −45.077 −34.653 1.00 44.33 MOL1 C ATOM 2587 O TRP B 11556.209 −44.188 −34.870 1.00 47.44 MOL1 O ATOM 2588 N GLY B 116 58.306−44.820 −34.376 1.00 42.65 MOL1 N ATOM 2589 CA GLY B 116 58.788 −43.451−34.384 1.00 44.00 MOL1 C ATOM 2590 C GLY B 116 59.147 −43.119 −35.8191.00 47.25 MOL1 C ATOM 2591 O GLY B 116 58.853 −43.902 −36.710 1.0048.39 MOL1 O ATOM 2592 N GLN B 117 59.763 −41.973 −36.075 1.00 53.34MOL1 N ATOM 2593 CA GLN B 117 60.145 −41.652 −37.449 1.00 55.82 MOL1 CATOM 2594 CB GLN B 117 60.268 −40.147 −37.671 1.00 63.13 MOL1 C ATOM2595 CG GLN B 117 61.399 −39.485 −36.898 1.00 80.29 MOL1 C ATOM 2596 CDGLN B 117 61.066 −39.298 −35.429 1.00 90.29 MOL1 C ATOM 2597 OE1 GLN B117 60.009 −38.752 −35.086 1.00 91.75 MOL1 O ATOM 2598 NE2 GLN B 11761.968 −39.739 −34.551 1.00 90.06 MOL1 N ATOM 2599 C GLN B 117 61.490−42.306 −37.710 1.00 52.56 MOL1 C ATOM 2600 O GLN B 117 61.863 −42.539−38.852 1.00 53.79 MOL1 O ATOM 2601 N GLY B 118 62.212 −42.596 −36.6321.00 52.43 MOL1 N ATOM 2602 CA GLY B 118 63.508 −43.246 −36.736 1.0053.65 MOL1 C ATOM 2603 C GLY B 118 64.687 −42.320 −36.967 1.00 52.41MOL1 C ATOM 2604 O GLY B 118 64.507 −41.207 −37.462 1.00 54.86 MOL1 OATOM 2605 N THR B 119 65.884 −42.769 −36.579 1.00 49.15 MOL1 N ATOM 2606CA THR B 119 67.110 −41.997 −36.793 1.00 49.60 MOL1 C ATOM 2607 CB THR B119 67.827 −41.574 −35.514 1.00 49.83 MOL1 C ATOM 2608 OG1 THR B 11967.548 −42.508 −34.471 1.00 53.93 MOL1 O ATOM 2609 CG2 THR B 119 67.453−40.166 −35.136 1.00 53.96 MOL1 C ATOM 2610 C THR B 119 68.119 −42.816−37.554 1.00 50.51 MOL1 C ATOM 2611 O THR B 119 68.283 −44.019 −37.3181.00 47.34 MOL1 O ATOM 2612 N LEU B 120 68.825 −42.131 −38.442 1.0048.83 MOL1 N ATOM 2613 CA LEU B 120 69.820 −42.761 −39.274 0.50 49.21MOL1 C ATOM 2614 CB LEU B 120 70.031 −41.891 −40.498 1.00 48.65 MOL1 CATOM 2615 CG LEU B 120 71.120 −42.347 −41.453 1.00 46.65 MOL1 C ATOM2616 CD1 LEU B 120 71.069 −43.865 −41.702 1.00 30.50 MOL1 C ATOM 2617CD2 LEU B 120 70.940 −41.538 −42.727 1.00 53.75 MOL1 C ATOM 2618 C LEU B120 71.137 −42.968 −38.554 1.00 46.13 MOL1 C ATOM 2619 O LEU B 12071.641 −42.058 −37.916 1.00 48.24 MOL1 O ATOM 2620 N VAL B 121 71.696−44.164 −38.670 1.00 44.98 MOL1 N ATOM 2621 CA VAL B 121 72.966 −44.463−38.034 1.00 51.17 MOL1 C ATOM 2622 CB VAL B 121 72.765 −45.379 −36.8211.00 51.60 MOL1 C ATOM 2623 CG1 VAL B 121 74.104 −45.701 −36.172 1.0040.79 MOL1 C ATOM 2624 CG2 VAL B 121 71.847 −44.700 −35.836 1.00 49.63MOL1 C ATOM 2625 C VAL B 121 73.879 −45.136 −39.046 1.00 56.48 MOL1 CATOM 2626 O VAL B 121 73.668 −46.300 −39.410 1.00 58.82 MOL1 O ATOM 2627N THR B 122 74.890 −44.396 −39.503 1.00 59.17 MOL1 N ATOM 2628 CA THR B122 75.838 −44.905 −40.497 1.00 61.81 MOL1 C ATOM 2629 CB THR B 12275.924 −43.949 −41.736 1.00 52.31 MOL1 C ATOM 2630 OG1 THR B 122 75.576−42.622 −41.342 1.00 46.25 MOL1 O ATOM 2631 CG2 THR B 122 74.970 −44.378−42.848 1.00 52.37 MOL1 C ATOM 2632 C THR B 122 77.259 −45.152 −39.9701.00 67.95 MOL1 C ATOM 2633 O THR B 122 78.011 −44.216 −39.694 1.0072.78 MOL1 O ATOM 2634 N VAL B 123 77.617 −46.423 −39.836 1.00 71.58MOL1 N ATOM 2635 CA VAL B 123 78.941 −46.804 −39.378 1.00 76.99 MOL1 CATOM 2636 CB VAL B 123 78.872 −48.098 −38.544 1.00 75.96 MOL1 C ATOM2637 CG1 VAL B 123 78.099 −49.149 −39.286 1.00 86.41 MOL1 C ATOM 2638CG2 VAL B 123 80.254 −48.607 −38.261 1.00 84.18 MOL1 C ATOM 2639 C VAL B123 79.872 −46.995 −40.592 1.00 81.61 MOL1 C ATOM 2640 O VAL B 12379.843 −48.030 −41.269 1.00 81.81 MOL1 O ATOM 2641 N SER B 124 80.685−45.974 −40.865 1.00 86.73 MOL1 N ATOM 2642 CA SER B 124 81.627 −45.986−41.986 1.00 90.91 MOL1 C ATOM 2643 CB SER B 124 81.040 −45.209 −43.1731.00 94.67 MOL1 C ATOM 2644 OG SER B 124 81.931 −45.159 −44.277 1.0093.43 MOL1 O ATOM 2645 C SER B 124 82.956 −45.355 −41.572 1.00 92.08MOL1 C ATOM 2646 O SER B 124 82.978 −44.409 −40.783 1.00 94.13 MOL1 OATOM 2647 N SER B 125 84.058 −45.877 −42.110 1.00 90.43 MOL1 N ATOM 2648CA SER B 125 85.388 −45.366 −41.794 1.00 83.28 MOL1 C ATOM 2649 CB SER B125 86.423 −46.486 −41.903 1.00 79.81 MOL1 C ATOM 2650 OG SER B 12586.211 −47.259 −43.068 1.00 85.28 MOL1 O ATOM 2651 C SER B 125 85.782−44.194 −42.681 1.00 79.66 MOL1 C ATOM 2652 O SER B 125 86.730 −43.481−42.384 1.00 78.73 MOL1 O ATOM 2653 N ALA B 126 85.044 −43.990 −43.7631.00 79.96 MOL1 N ATOM 2654 CA ALA B 126 85.318 −42.887 −44.675 1.0081.43 MOL1 C ATOM 2655 CB ALA B 126 84.326 −42.895 −45.809 1.00 86.30MOL1 C ATOM 2656 C ALA B 126 85.265 −41.548 −43.954 1.00 81.14 MOL1 CATOM 2657 O ALA B 126 84.682 −41.431 −42.875 1.00 82.37 MOL1 O ATOM 2658N LYS B 127 85.859 −40.535 −44.573 1.00 81.98 MOL1 N ATOM 2659 CA LYS B127 85.926 −39.206 −43.983 1.00 87.15 MOL1 C ATOM 2660 CB LYS B 12787.391 −38.794 −43.795 1.00 99.20 MOL1 C ATOM 2661 CG LYS B 127 88.340−39.923 −43.332 1.00 111.33 MOL1 C ATOM 2662 CD LYS B 127 88.734 −40.877−44.484 1.00 116.04 MOL1 C ATOM 2663 CE LYS B 127 89.702 −41.978 −44.0231.00 114.55 MOL1 C ATOM 2664 NZ LYS B 127 90.022 −42.962 −45.103 1.00107.62 MOL1 N ATOM 2665 C LYS B 127 85.243 −38.193 −44.871 1.00 80.91MOL1 C ATOM 2666 O LYS B 127 85.237 −38.340 −46.079 1.00 79.56 MOL1 OATOM 2667 N THR B 128 84.683 −37.155 −44.267 1.00 79.13 MOL1 N ATOM 2668CA THR B 128 83.999 −36.115 −45.026 1.00 80.44 MOL1 C ATOM 2669 CB THR B128 83.662 −34.900 −44.123 1.00 87.75 MOL1 C ATOM 2670 OG1 THR B 12883.157 −33.824 −44.930 1.00 91.00 MOL1 O ATOM 2671 CG2 THR B 128 84.906−34.433 −43.354 1.00 95.92 MOL1 C ATOM 2672 C THR B 128 84.809 −35.622−46.228 1.00 73.65 MOL1 C ATOM 2673 O THR B 128 85.880 −35.041 −46.0661.00 73.18 MOL1 O ATOM 2674 N THR B 129 84.277 −35.852 −47.428 1.0067.55 MOL1 N ATOM 2675 CA THR B 129 84.915 −35.451 −48.687 1.00 63.55MOL1 C ATOM 2676 CB THR B 129 85.295 −36.655 −49.546 1.00 55.93 MOL1 CATOM 2677 OG1 THR B 129 86.154 −37.538 −48.824 1.00 47.85 MOL1 O ATOM2678 CG2 THR B 129 85.970 −36.184 −50.808 1.00 52.38 MOL1 C ATOM 2679 CTHR B 129 83.945 −34.681 −49.578 1.00 69.74 MOL1 C ATOM 2680 O THR B 12982.822 −35.132 −49.801 1.00 72.74 MOL1 O ATOM 2681 N PRO B 130 84.365−33.534 −50.135 1.00 71.79 MOL1 N ATOM 2682 CD PRO B 130 85.698 −32.910−50.191 1.00 69.95 MOL1 C ATOM 2683 CA PRO B 130 83.422 −32.813 −50.9941.00 74.26 MOL1 C ATOM 2684 CB PRO B 130 84.089 −31.461 −51.166 1.0071.83 MOL1 C ATOM 2685 CG PRO B 130 85.521 −31.858 −51.298 1.00 71.38MOL1 C ATOM 2686 C PRO B 130 83.356 −33.576 −52.310 1.00 75.56 MOL1 CATOM 2687 O PRO B 130 84.231 −34.384 −52.599 1.00 70.43 MOL1 O ATOM 2688N PRO B 131 82.327 −33.319 −53.130 1.00 79.47 MOL1 N ATOM 2689 CD PRO B131 81.168 −32.449 −52.863 1.00 85.88 MOL1 C ATOM 2690 CA PRO B 13182.155 −33.989 −54.414 1.00 77.67 MOL1 C ATOM 2691 CB PRO B 131 80.657−33.953 −54.607 1.00 76.78 MOL1 C ATOM 2692 CG PRO B 131 80.355 −32.572−54.162 1.00 79.89 MOL1 C ATOM 2693 C PRO B 131 82.866 −33.286 −55.5491.00 77.13 MOL1 C ATOM 2694 O PRO B 131 83.061 −32.072 −55.528 1.0078.86 MOL1 O ATOM 2695 N SER B 132 83.243 −34.073 −56.545 1.00 76.12MOL1 N ATOM 2696 CA SER B 132 83.907 −33.569 −57.736 1.00 73.56 MOL1 CATOM 2697 CB SER B 132 85.007 −34.543 −58.161 1.00 73.15 MOL1 C ATOM2698 OG SER B 132 85.763 −34.980 −57.040 1.00 68.08 MOL1 O ATOM 2699 CSER B 132 82.787 −33.547 −58.767 1.00 69.58 MOL1 C ATOM 2700 O SER B 13282.091 −34.534 −58.938 1.00 72.95 MOL1 O ATOM 2701 N VAL B 133 82.588−32.438 −59.452 1.00 63.51 MOL1 N ATOM 2702 CA VAL B 133 81.497 −32.403−60.407 1.00 60.40 MOL1 C ATOM 2703 CB VAL B 133 80.504 −31.297 −60.0661.00 63.33 MOL1 C ATOM 2704 CG1 VAL B 133 79.595 −31.022 −61.262 1.0055.60 MOL1 C ATOM 2705 CG2 VAL B 133 79.703 −31.696 −58.852 1.00 63.03MOL1 C ATOM 2706 C VAL B 133 81.900 −32.224 −61.847 1.00 61.09 MOL1 CATOM 2707 O VAL B 133 82.502 −31.222 −62.217 1.00 70.14 MOL1 O ATOM 2708N TYR B 134 81.548 −33.196 −62.669 1.00 57.45 MOL1 N ATOM 2709 CA TYR B134 81.873 −33.138 −64.084 1.00 56.17 MOL1 C ATOM 2710 CB TYR B 13482.598 −34.411 −64.514 1.00 50.84 MOL1 C ATOM 2711 CG TYR B 134 83.717−34.851 −63.598 1.00 47.52 MOL1 C ATOM 2712 CD1 TYR B 134 84.846 −34.068−63.410 1.00 53.56 MOL1 C ATOM 2713 CE1 TYR B 134 85.896 −34.481 −62.5801.00 48.90 MOL1 C ATOM 2714 CD2 TYR B 134 83.656 −36.059 −62.937 1.0047.93 MOL1 C ATOM 2715 CE2 TYR B 134 84.693 −36.477 −62.114 1.00 53.51MOL1 C ATOM 2716 CZ TYR B 134 85.812 −35.685 −61.939 1.00 50.11 MOL1 CATOM 2717 OH TYR B 134 86.847 −36.114 −61.130 1.00 54.69 MOL1 O ATOM2718 C TYR B 134 80.573 −33.020 −64.854 1.00 57.98 MOL1 C ATOM 2719 OTYR B 134 79.548 −33.544 −64.437 1.00 66.11 MOL1 O ATOM 2720 N PRO B 13580.602 −32.350 −66.002 1.00 55.25 MOL1 N ATOM 2721 CD PRO B 135 81.773−31.604 −66.474 1.00 55.20 MOL1 C ATOM 2722 CA PRO B 135 79.462 −32.118−66.886 1.00 60.31 MOL1 C ATOM 2723 CB PRO B 135 79.797 −30.778 −67.4891.00 62.52 MOL1 C ATOM 2724 CG PRO B 135 81.253 −30.947 −67.754 1.0060.17 MOL1 C ATOM 2725 C PRO B 135 79.298 −33.162 −67.980 1.00 61.19MOL1 C ATOM 2726 O PRO B 135 80.232 −33.431 −68.716 1.00 62.45 MOL1 OATOM 2727 N LEU B 136 78.113 −33.739 −68.109 1.00 63.16 MOL1 N ATOM 2728CA LEU B 136 77.899 −34.718 −69.164 1.00 64.19 MOL1 C ATOM 2729 CB LEU B136 76.916 −35.804 −68.735 1.00 59.59 MOL1 C ATOM 2730 CG LEU B 13677.425 −37.016 −67.963 1.00 54.68 MOL1 C ATOM 2731 CD1 LEU B 136 78.316−36.594 −66.824 1.00 51.35 MOL1 C ATOM 2732 CD2 LEU B 136 76.233 −37.783−67.448 1.00 50.74 MOL1 C ATOM 2733 C LEU B 136 77.348 −34.011 −70.3871.00 67.26 MOL1 C ATOM 2734 O LEU B 136 76.183 −33.621 −70.421 1.0067.76 MOL1 O ATOM 2735 N ALA B 137 78.196 −33.841 −71.391 1.00 71.61MOL1 N ATOM 2736 CA ALA B 137 77.782 −33.184 −72.626 1.00 74.68 MOL1 CATOM 2737 CB ALA B 137 78.735 −32.051 −72.966 1.00 78.07 MOL1 C ATOM2738 C ALA B 137 77.775 −34.205 −73.744 1.00 76.08 MOL1 C ATOM 2739 OALA B 137 78.578 −35.130 −73.745 1.00 79.25 MOL1 O ATOM 2740 N PRO B 13876.874 −34.046 −74.718 1.00 77.50 MOL1 N ATOM 2741 CD PRO B 138 75.871−32.985 −74.845 1.00 79.23 MOL1 C ATOM 2742 CA PRO B 138 76.783 −34.981−75.841 1.00 82.58 MOL1 C ATOM 2743 CB PRO B 138 75.610 −34.451 −76.6531.00 78.60 MOL1 C ATOM 2744 CG PRO B 138 75.611 −33.004 −76.329 1.0085.88 MOL1 C ATOM 2745 C PRO B 138 78.048 −35.128 −76.659 1.00 89.70MOL1 C ATOM 2746 O PRO B 138 79.032 −34.421 −76.451 1.00 90.70 MOL1 OATOM 2747 N GLY B 139 78.024 −36.085 −77.574 1.00 98.32 MOL1 N ATOM 2748CA GLY B 139 79.177 −36.318 −78.413 1.00 113.85 MOL1 C ATOM 2749 C GLY B139 78.962 −35.612 −79.730 1.00 124.92 MOL1 C ATOM 2750 O GLY B 13977.951 −34.928 −79.916 1.00 126.20 MOL1 O ATOM 2751 N SER B 140 79.905−35.768 −80.651 1.00 133.36 MOL1 N ATOM 2752 CA SER B 140 79.789 −35.132−81.953 1.00 140.03 MOL1 C ATOM 2753 CB SER B 140 81.176 −34.925 −82.5501.00 140.08 MOL1 C ATOM 2754 OG SER B 140 82.012 −34.265 −81.617 1.00143.82 MOL1 O ATOM 2755 C SER B 140 78.940 −35.998 −82.879 1.00 145.00MOL1 C ATOM 2756 O SER B 140 79.256 −36.157 −84.058 1.00 145.81 MOL1 OATOM 2757 N ALA B 141 77.861 −36.555 −82.331 1.00 150.83 MOL1 N ATOM2758 CA ALA B 141 76.948 −37.411 −83.087 1.00 154.88 MOL1 C ATOM 2759 CBALA B 141 76.494 −38.575 −82.222 1.00 155.02 MOL1 C ATOM 2760 C ALA B141 75.734 −36.636 −83.591 1.00 158.07 MOL1 C ATOM 2761 O ALA B 14174.611 −37.145 −83.580 1.00 156.84 MOL1 O ATOM 2762 N ALA B 142 75.979−35.401 −84.024 1.00 162.10 MOL1 N ATOM 2763 CA ALA B 142 74.948 −34.514−84.556 1.00 163.53 MOL1 C ATOM 2764 CB ALA B 142 74.538 −34.974 −85.9571.00 164.67 MOL1 C ATOM 2765 C ALA B 142 73.711 −34.363 −83.671 1.00162.99 MOL1 C ATOM 2766 O ALA B 142 73.661 −34.880 −82.550 1.00 161.99MOL1 O ATOM 2767 N GLN B 143 72.716 −33.648 −84.196 1.00 162.28 MOL1 NATOM 2768 CA GLN B 143 71.471 −33.386 −83.480 1.00 160.11 MOL1 C ATOM2769 CB GLN B 143 71.247 −31.877 −83.359 1.00 156.48 MOL1 C ATOM 2770 CGGLN B 143 69.969 −31.516 −82.638 1.00 150.39 MOL1 C ATOM 2771 CD GLN B143 69.859 −32.222 −81.307 1.00 146.35 MOL1 C ATOM 2772 OE1 GLN B 14370.743 −32.106 −80.459 1.00 141.00 MOL1 O ATOM 2773 NE2 GLN B 143 68.774−32.966 −81.118 1.00 145.15 MOL1 N ATOM 2774 C GLN B 143 70.235 −34.018−84.115 1.00 159.54 MOL1 C ATOM 2775 O GLN B 143 69.692 −33.505 −85.0951.00 158.40 MOL1 O ATOM 2776 N THR B 144 69.796 −35.135 −83.546 1.00159.59 MOL1 N ATOM 2777 CA THR B 144 68.609 −35.826 −84.032 1.00 157.12MOL1 C ATOM 2778 CB THR B 144 68.856 −37.357 −84.186 1.00 155.18 MOL1 CATOM 2779 OG1 THR B 144 69.976 −37.584 −85.055 1.00 147.12 MOL1 O ATOM2780 CG2 THR B 144 67.622 −38.043 −84.775 1.00 151.91 MOL1 C ATOM 2781 CTHR B 144 67.500 −35.579 −83.006 1.00 156.85 MOL1 C ATOM 2782 O THR B144 67.773 −35.375 −81.817 1.00 157.41 MOL1 O ATOM 2783 N ASN B 14566.255 −35.579 −83.474 1.00 153.16 MOL1 N ATOM 2784 CA ASN B 145 65.106−35.354 −82.604 1.00 147.39 MOL1 C ATOM 2785 CB ASN B 145 65.129 −36.354−81.432 1.00 151.09 MOL1 C ATOM 2786 CG ASN B 145 63.833 −36.355 −80.6231.00 153.65 MOL1 C ATOM 2787 OD1 ASN B 145 62.736 −36.473 −81.178 1.00155.14 MOL1 O ATOM 2788 ND2 ASN B 145 63.960 −36.238 −79.304 1.00 151.49MOL1 N ATOM 2789 C ASN B 145 65.089 −33.911 −82.087 1.00 139.28 MOL1 CATOM 2790 O ASN B 145 66.083 −33.184 −82.169 1.00 134.73 MOL1 O ATOM2791 N SER B 146 63.942 −33.513 −81.556 1.00 130.39 MOL1 N ATOM 2792 CASER B 146 63.742 −32.174 −81.039 1.00 121.32 MOL1 C ATOM 2793 CB SER B146 62.252 −31.872 −81.046 1.00 121.39 MOL1 C ATOM 2794 OG SER B 14661.539 −32.977 −80.523 1.00 119.93 MOL1 O ATOM 2795 C SER B 146 64.287−31.963 −79.638 1.00 116.49 MOL1 C ATOM 2796 O SER B 146 64.423 −30.829−79.190 1.00 117.95 MOL1 O ATOM 2797 N MET B 147 64.606 −33.049 −78.9471.00 109.47 MOL1 N ATOM 2798 CA MET B 147 65.106 −32.945 −77.581 1.0099.96 MOL1 C ATOM 2799 CB MET B 147 64.206 −33.771 −76.668 1.00 98.20MOL1 C ATOM 2800 CG MET B 147 62.771 −33.302 −76.684 1.00 91.48 MOL1 CATOM 2801 SD MET B 147 62.722 −31.573 −76.210 1.00 87.10 MOL1 S ATOM2802 CE MET B 147 62.533 −31.694 −74.406 1.00 83.70 MOL1 C ATOM 2803 CMET B 147 66.559 −33.372 −77.387 1.00 93.01 MOL1 C ATOM 2804 O MET B 14767.080 −34.206 −78.129 1.00 93.00 MOL1 O ATOM 2805 N VAL B 148 67.212−32.786 −76.388 1.00 82.04 MOL1 N ATOM 2806 CA VAL B 148 68.590 −33.132−76.080 1.00 80.26 MOL1 C ATOM 2807 CB VAL B 148 69.568 −32.017 −76.4361.00 73.03 MOL1 C ATOM 2808 CG1 VAL B 148 69.355 −31.586 −77.857 1.0079.27 MOL1 C ATOM 2809 CG2 VAL B 148 69.407 −30.862 −75.481 1.00 74.82MOL1 C ATOM 2810 C VAL B 148 68.728 −33.401 −74.592 1.00 83.56 MOL1 CATOM 2811 O VAL B 148 68.186 −32.669 −73.762 1.00 88.38 MOL1 O ATOM 2812N THR B 149 69.455 −34.457 −74.247 1.00 79.56 MOL1 N ATOM 2813 CA THR B149 69.642 −34.792 −72.845 1.00 65.55 MOL1 C ATOM 2814 CB THR B 14969.385 −36.266 −72.587 1.00 57.01 MOL1 C ATOM 2815 OG1 THR B 149 68.077−36.610 −73.051 1.00 50.89 MOL1 O ATOM 2816 CG2 THR B 149 69.479 −36.550−71.110 1.00 53.41 MOL1 C ATOM 2817 C THR B 149 71.048 −34.477 −72.3941.00 60.64 MOL1 C ATOM 2818 O THR B 149 72.009 −34.912 −73.003 1.0063.37 MOL1 O ATOM 2819 N LEU B 150 71.156 −33.698 −71.331 1.00 57.09MOL1 N ATOM 2820 CA LEU B 150 72.446 −33.320 −70.776 1.00 56.17 MOL1 CATOM 2821 CB LEU B 150 72.576 −31.801 −70.667 1.00 51.09 MOL1 C ATOM2822 CG LEU B 150 72.751 −31.001 −71.961 1.00 48.86 MOL1 C ATOM 2823 CD1LEU B 150 72.505 −31.870 −73.200 1.00 42.57 MOL1 C ATOM 2824 CD2 LEU B150 71.794 −29.820 −71.914 1.00 45.75 MOL1 C ATOM 2825 C LEU B 15072.550 −33.936 −69.402 1.00 56.81 MOL1 C ATOM 2826 O LEU B 150 71.550−34.351 −68.825 1.00 56.89 MOL1 O ATOM 2827 N GLY B 151 73.758 −33.992−68.867 1.00 57.09 MOL1 N ATOM 2828 CA GLY B 151 73.912 −34.609 −67.5691.00 61.99 MOL1 C ATOM 2829 C GLY B 151 74.929 −33.945 −66.687 1.0062.66 MOL1 C ATOM 2830 O GLY B 151 75.595 −32.999 −67.085 1.00 67.22MOL1 O ATOM 2831 N CYS B 152 75.059 −34.462 −65.478 1.00 59.76 MOL1 NATOM 2832 CA CYS B 152 75.987 −33.897 −64.547 1.00 60.32 MOL1 C ATOM2833 C CYS B 152 76.411 −34.971 −63.561 1.00 59.67 MOL1 C ATOM 2834 OCYS B 152 75.625 −35.381 −62.715 1.00 62.50 MOL1 O ATOM 2835 CB CYS B152 75.304 −32.742 −63.842 1.00 66.12 MOL1 C ATOM 2836 SG CYS B 15276.409 −31.855 −62.723 1.00 92.70 MOL1 S ATOM 2837 N LEU B 153 77.655−35.432 −63.677 1.00 55.92 MOL1 N ATOM 2838 CA LEU B 153 78.167 −36.475−62.794 1.00 51.19 MOL1 C ATOM 2839 CB LEU B 153 79.177 −37.346 −63.5331.00 46.56 MOL1 C ATOM 2840 CG LEU B 153 79.817 −38.482 −62.739 1.0045.38 MOL1 C ATOM 2841 CD1 LEU B 153 78.795 −39.162 −61.856 1.00 45.70MOL1 C ATOM 2842 CD2 LEU B 153 80.412 −39.469 −63.708 1.00 40.29 MOL1 CATOM 2843 C LEU B 153 78.798 −35.905 −61.543 1.00 48.55 MOL1 C ATOM 2844O LEU B 153 79.663 −35.045 −61.612 1.00 53.93 MOL1 O ATOM 2845 N VAL B154 78.349 −36.401 −60.400 1.00 47.25 MOL1 N ATOM 2846 CA VAL B 15478.826 −35.965 −59.098 1.00 45.87 MOL1 C ATOM 2847 CB VAL B 154 77.657−35.631 −58.207 1.00 44.57 MOL1 C ATOM 2848 CG1 VAL B 154 78.155 −35.068−56.905 1.00 47.69 MOL1 C ATOM 2849 CG2 VAL B 154 76.720 −34.683 −58.9361.00 41.90 MOL1 C ATOM 2850 C VAL B 154 79.578 −37.129 −58.480 1.0050.77 MOL1 C ATOM 2851 O VAL B 154 78.977 −38.021 −57.874 1.00 52.29MOL1 O ATOM 2852 N LYS B 155 80.898 −37.103 −58.611 1.00 51.62 MOL1 NATOM 2853 CA LYS B 155 81.726 −38.187 −58.128 1.00 47.10 MOL1 C ATOM2854 CB LYS B 155 82.759 −38.509 −59.200 1.00 45.20 MOL1 C ATOM 2855 CGLYS B 155 82.964 −39.984 −59.438 1.00 48.09 MOL1 C ATOM 2856 CD LYS B155 83.884 −40.241 −60.616 1.00 49.66 MOL1 C ATOM 2857 CE LYS B 15583.733 −41.672 −61.098 1.00 53.64 MOL1 C ATOM 2858 NZ LYS B 155 83.873−42.644 −59.971 1.00 57.44 MOL1 N ATOM 2859 C LYS B 155 82.416 −38.002−56.791 1.00 48.90 MOL1 C ATOM 2860 O LYS B 155 82.639 −36.886 −56.3271.00 46.39 MOL1 O ATOM 2861 N GLY B 156 82.741 −39.140 −56.189 1.0055.33 MOL1 N ATOM 2862 CA GLY B 156 83.435 −39.204 −54.912 1.00 65.86MOL1 C ATOM 2863 C GLY B 156 83.200 −38.166 −53.833 1.00 69.92 MOL1 CATOM 2864 O GLY B 156 84.041 −37.293 −53.618 1.00 77.50 MOL1 O ATOM 2865N TYR B 157 82.068 −38.264 −53.142 1.00 70.11 MOL1 N ATOM 2866 CA TYR B157 81.761 −37.336 −52.063 1.00 64.80 MOL1 C ATOM 2867 CB TYR B 15780.689 −36.337 −52.476 1.00 59.00 MOL1 C ATOM 2868 CG TYR B 157 79.327−36.949 −52.703 1.00 56.79 MOL1 C ATOM 2869 CD1 TYR B 157 78.771 −37.001−53.974 1.00 54.06 MOL1 C ATOM 2870 CE1 TYR B 157 77.503 −37.508 −54.1721.00 57.42 MOL1 C ATOM 2871 CD2 TYR B 157 78.574 −37.433 −51.636 1.0053.29 MOL1 C ATOM 2872 CE2 TYR B 157 77.309 −37.942 −51.826 1.00 53.49MOL1 C ATOM 2873 CZ TYR B 157 76.775 −37.974 −53.093 1.00 54.99 MOL1 CATOM 2874 OH TYR B 157 75.499 −38.445 −53.273 1.00 54.48 MOL1 O ATOM2875 C TYR B 157 81.267 −38.141 −50.886 1.00 63.04 MOL1 C ATOM 2876 OTYR B 157 80.821 −39.272 −51.039 1.00 59.06 MOL1 O ATOM 2877 N PHE B 15881.346 −37.548 −49.708 1.00 69.10 MOL1 N ATOM 2878 CA PHE B 158 80.910−38.216 −48.493 1.00 74.39 MOL1 C ATOM 2879 CB PHE B 158 81.953 −39.236−48.058 1.00 65.26 MOL1 C ATOM 2880 CG PHE B 158 81.537 −40.048 −46.8801.00 64.19 MOL1 C ATOM 2881 CD1 PHE B 158 81.138 −41.366 −47.036 1.0072.15 MOL1 C ATOM 2882 CD2 PHE B 158 81.528 −39.500 −45.619 1.00 57.90MOL1 C ATOM 2883 CE1 PHE B 158 80.736 −42.127 −45.947 1.00 68.39 MOL1 CATOM 2884 CE2 PHE B 158 81.128 −40.250 −44.534 1.00 66.03 MOL1 C ATOM2885 CZ PHE B 158 80.732 −41.566 −44.698 1.00 64.34 MOL1 C ATOM 2886 CPHE B 158 80.699 −37.205 −47.372 1.00 77.11 MOL1 C ATOM 2887 O PHE B 15881.484 −36.273 −47.214 1.00 76.37 MOL1 O ATOM 2888 N PRO B 159 79.621−37.374 −46.593 1.00 79.21 MOL1 N ATOM 2889 CD PRO B 159 79.436 −36.783−45.258 1.00 82.61 MOL1 C ATOM 2890 CA PRO B 159 78.670 −38.466 −46.7921.00 81.88 MOL1 C ATOM 2891 CB PRO B 159 78.413 −38.939 −45.377 1.0079.81 MOL1 C ATOM 2892 CG PRO B 159 78.304 −37.633 −44.661 1.00 83.36MOL1 C ATOM 2893 C PRO B 159 77.401 −37.925 −47.440 1.00 83.67 MOL1 CATOM 2894 O PRO B 159 77.364 −36.787 −47.913 1.00 79.92 MOL1 O ATOM 2895N GLU B 160 76.361 −38.748 −47.469 1.00 84.54 MOL1 N ATOM 2896 CA GLU B160 75.104 −38.307 −48.032 1.00 83.10 MOL1 C ATOM 2897 CB GLU B 16074.082 −39.444 −47.971 1.00 85.56 MOL1 C ATOM 2898 CG GLU B 160 74.270−40.523 −49.046 1.00 82.66 MOL1 C ATOM 2899 CD GLU B 160 73.359 −40.326−50.260 1.00 85.85 MOL1 C ATOM 2900 OE1 GLU B 160 73.429 −39.260 −50.9261.00 75.99 MOL1 O ATOM 2901 OE2 GLU B 160 72.565 −41.251 −50.541 1.0087.30 MOL1 O ATOM 2902 C GLU B 160 74.687 −37.133 −47.156 1.00 83.85MOL1 C ATOM 2903 O GLU B 160 75.079 −37.043 −46.002 1.00 91.45 MOL1 OATOM 2904 N PRO B 161 73.876 −36.225 −47.687 1.00 84.59 MOL1 N ATOM 2905CD PRO B 161 73.067 −35.272 −46.909 1.00 87.46 MOL1 C ATOM 2906 CA PRO B161 73.371 −36.300 −49.047 1.00 89.94 MOL1 C ATOM 2907 CB PRO B 16171.877 −36.223 −48.826 1.00 94.06 MOL1 C ATOM 2908 CG PRO B 161 71.822−35.061 −47.816 1.00 92.06 MOL1 C ATOM 2909 C PRO B 161 73.854 −35.095−49.828 1.00 89.06 MOL1 C ATOM 2910 O PRO B 161 74.339 −34.119 −49.2571.00 90.78 MOL1 O ATOM 2911 N VAL B 162 73.706 −35.170 −51.140 1.0084.16 MOL1 N ATOM 2912 CA VAL B 162 74.078 −34.072 −51.996 1.00 81.00MOL1 C ATOM 2913 CB VAL B 162 75.002 −34.526 −53.121 1.00 79.53 MOL1 CATOM 2914 CG1 VAL B 162 75.202 −33.410 −54.113 1.00 81.10 MOL1 C ATOM2915 CG2 VAL B 162 76.316 −34.922 −52.553 1.00 79.59 MOL1 C ATOM 2916 CVAL B 162 72.760 −33.631 −52.583 1.00 81.88 MOL1 C ATOM 2917 O VAL B 16271.836 −34.439 −52.701 1.00 83.89 MOL1 O ATOM 2918 N THR B 163 72.657−32.356 −52.935 1.00 79.62 MOL1 N ATOM 2919 CA THR B 163 71.424 −31.850−53.511 1.00 83.82 MOL1 C ATOM 2920 CB THR B 163 70.814 −30.706 −52.6681.00 88.23 MOL1 C ATOM 2921 OG1 THR B 163 71.513 −29.485 −52.941 1.0092.89 MOL1 O ATOM 2922 CG2 THR B 163 70.906 −31.022 −51.178 1.00 90.95MOL1 C ATOM 2923 C THR B 163 71.715 −31.297 −54.890 1.00 82.59 MOL1 CATOM 2924 O THR B 163 72.513 −30.376 −55.037 1.00 83.05 MOL1 O ATOM 2925N VAL B 164 71.071 −31.855 −55.904 1.00 82.18 MOL1 N ATOM 2926 CA VAL B164 71.288 −31.372 −57.252 1.00 81.58 MOL1 C ATOM 2927 CB VAL B 16471.659 −32.497 −58.183 1.00 79.13 MOL1 C ATOM 2928 CG1 VAL B 164 71.828−31.964 −59.589 1.00 80.19 MOL1 C ATOM 2929 CG2 VAL B 164 72.927 −33.140−57.694 1.00 81.90 MOL1 C ATOM 2930 C VAL B 164 70.059 −30.683 −57.7931.00 85.73 MOL1 C ATOM 2931 O VAL B 164 68.930 −31.037 −57.445 1.0090.71 MOL1 O ATOM 2932 N THR B 165 70.293 −29.690 −58.646 1.00 85.71MOL1 N ATOM 2933 CA THR B 165 69.223 −28.911 −59.254 1.00 86.99 MOL1 CATOM 2934 CB THR B 165 68.794 −27.760 −58.365 1.00 84.35 MOL1 C ATOM2935 OG1 THR B 165 68.662 −26.588 −59.174 1.00 86.68 MOL1 O ATOM 2936CG2 THR B 165 69.826 −27.504 −57.282 1.00 82.83 MOL1 C ATOM 2937 C THR B165 69.696 −28.297 −60.557 1.00 87.96 MOL1 C ATOM 2938 O THR B 16570.889 −28.119 −60.763 1.00 89.58 MOL1 O ATOM 2939 N TRP B 166 68.764−27.957 −61.436 1.00 89.74 MOL1 N ATOM 2940 CA TRP B 166 69.156 −27.363−62.703 1.00 95.35 MOL1 C ATOM 2941 CB TRP B 166 68.700 −28.246 −63.8701.00 95.27 MOL1 C ATOM 2942 CG TRP B 166 69.333 −29.610 −63.827 1.0092.11 MOL1 C ATOM 2943 CD2 TRP B 166 70.536 −30.013 −64.481 1.00 91.36MOL1 C ATOM 2944 CE2 TRP B 166 70.811 −31.331 −64.076 1.00 90.40 MOL1 CATOM 2945 CE3 TRP B 166 71.412 −29.386 −65.367 1.00 93.22 MOL1 C ATOM2946 CD1 TRP B 166 68.934 −30.675 −63.077 1.00 91.33 MOL1 C ATOM 2947NE1 TRP B 166 69.817 −31.714 −63.218 1.00 88.04 MOL1 N ATOM 2948 CZ2 TRPB 166 71.921 −32.029 −64.523 1.00 94.04 MOL1 C ATOM 2949 CZ3 TRP B 16672.514 −30.079 −65.811 1.00 92.47 MOL1 C ATOM 2950 CH2 TRP B 166 72.760−31.385 −65.390 1.00 95.29 MOL1 C ATOM 2951 C TRP B 166 68.626 −25.945−62.851 1.00 99.39 MOL1 C ATOM 2952 O TRP B 166 67.432 −25.692 −62.6911.00 105.82 MOL1 O ATOM 2953 N ASN B 167 69.539 −25.026 −63.159 1.0099.81 MOL1 N ATOM 2954 CA ASN B 167 69.233 −23.606 −63.308 1.00 98.01MOL1 C ATOM 2955 CB ASN B 167 68.418 −23.362 −64.586 1.00 91.86 MOL1 CATOM 2956 CG ASN B 167 69.292 −23.352 −65.848 1.00 87.45 MOL1 C ATOM2957 OD1 ASN B 167 70.279 −22.622 −65.929 1.00 83.06 MOL1 O ATOM 2958ND2 ASN B 167 68.921 −24.153 −66.833 1.00 86.61 MOL1 N ATOM 2959 C ASN B167 68.531 −23.075 −62.051 1.00 97.63 MOL1 C ATOM 2960 O ASN B 16767.612 −22.263 −62.099 1.00 95.45 MOL1 O ATOM 2961 N SER B 168 69.013−23.571 −60.920 1.00 99.16 MOL1 N ATOM 2962 CA SER B 168 68.530 −23.209−59.605 1.00 103.13 MOL1 C ATOM 2963 CB SER B 168 68.962 −21.781 −59.2821.00 105.76 MOL1 C ATOM 2964 OG SER B 168 70.379 −21.701 −59.186 1.00104.13 MOL1 O ATOM 2965 C SER B 168 67.034 −23.389 −59.391 1.00 105.80MOL1 C ATOM 2966 O SER B 168 66.469 −22.866 −58.430 1.00 112.60 MOL1 OATOM 2967 N GLY B 169 66.396 −24.151 −60.271 1.00 103.98 MOL1 N ATOM2968 CA GLY B 169 64.975 −24.395 −60.122 1.00 102.24 MOL1 C ATOM 2969 CGLY B 169 64.203 −24.118 −61.390 1.00 101.31 MOL1 C ATOM 2970 O GLY B169 63.037 −24.491 −61.506 1.00 101.78 MOL1 O ATOM 2971 N SER B 17064.851 −23.459 −62.344 1.00 100.43 MOL1 N ATOM 2972 CA SER B 170 64.206−23.136 −63.610 1.00 103.82 MOL1 C ATOM 2973 CB SER B 170 65.167 −22.362−64.524 1.00 105.34 MOL1 C ATOM 2974 OG SER B 170 65.513 −21.096 −63.9761.00 106.93 MOL1 O ATOM 2975 C SER B 170 63.739 −24.410 −64.312 1.00103.24 MOL1 C ATOM 2976 O SER B 170 62.668 −24.447 −64.916 1.00 104.85MOL1 O ATOM 2977 N LEU B 171 64.552 −25.454 −64.220 1.00 101.77 MOL1 NATOM 2978 CA LEU B 171 64.245 −26.737 −64.838 1.00 97.44 MOL1 C ATOM2979 CB LEU B 171 65.469 −27.234 −65.596 1.00 85.50 MOL1 C ATOM 2980 CGLEU B 171 65.734 −26.597 −66.954 1.00 75.09 MOL1 C ATOM 2981 CD1 LEU B171 65.330 −25.148 −66.967 1.00 81.51 MOL1 C ATOM 2982 CD2 LEU B 17167.183 −26.741 −67.257 1.00 74.81 MOL1 C ATOM 2983 C LEU B 171 63.859−27.751 −63.774 1.00 100.19 MOL1 C ATOM 2984 O LEU B 171 64.701 −28.165−62.975 1.00 99.25 MOL1 O ATOM 2985 N SER B 172 62.593 −28.153 −63.7561.00 103.78 MOL1 N ATOM 2986 CA SER B 172 62.139 −29.123 −62.766 1.00111.40 MOL1 C ATOM 2987 CB SER B 172 61.091 −28.490 −61.843 1.00 118.82MOL1 C ATOM 2988 OG SER B 172 60.013 −27.933 −62.582 1.00 129.27 MOL1 OATOM 2989 C SER B 172 61.560 −30.351 −63.450 1.00 110.58 MOL1 C ATOM2990 O SER B 172 61.656 −31.471 −62.938 1.00 109.57 MOL1 O ATOM 2991 NSER B 173 60.966 −30.128 −64.615 1.00 109.96 MOL1 N ATOM 2992 CA SER B173 60.360 −31.200 −65.385 1.00 110.01 MOL1 C ATOM 2993 CB SER B 17359.115 −30.675 −66.105 1.00 115.15 MOL1 C ATOM 2994 OG SER B 173 59.278−29.312 −66.472 1.00 120.73 MOL1 O ATOM 2995 C SER B 173 61.354 −31.773−66.381 1.00 106.83 MOL1 C ATOM 2996 O SER B 173 62.180 −31.047 −66.9391.00 106.61 MOL1 O ATOM 2997 N GLY B 174 61.272 −33.082 −66.594 1.00103.41 MOL1 N ATOM 2998 CA GLY B 174 62.182 −33.735 −67.519 1.00 98.00MOL1 C ATOM 2999 C GLY B 174 63.556 −33.909 −66.902 1.00 90.42 MOL1 CATOM 3000 O GLY B 174 64.568 −34.021 −67.598 1.00 90.12 MOL1 O ATOM 3001N VAL B 175 63.590 −33.928 −65.579 1.00 82.41 MOL1 N ATOM 3002 CA VAL B175 64.839 −34.086 −64.867 1.00 75.83 MOL1 C ATOM 3003 CB VAL B 17565.078 −32.923 −63.895 1.00 72.58 MOL1 C ATOM 3004 CG1 VAL B 175 65.923−33.385 −62.725 1.00 68.11 MOL1 C ATOM 3005 CG2 VAL B 175 65.777 −31.797−64.621 1.00 69.58 MOL1 C ATOM 3006 C VAL B 175 64.865 −35.377 −64.0871.00 73.80 MOL1 C ATOM 3007 O VAL B 175 63.891 −35.744 −63.435 1.0076.99 MOL1 O ATOM 3008 N HIS B 176 65.995 −36.064 −64.164 1.00 69.57MOL1 N ATOM 3009 CA HIS B 176 66.170 −37.313 −63.459 1.00 63.67 MOL1 CATOM 3010 CB HIS B 176 66.184 −38.477 −64.440 1.00 59.02 MOL1 C ATOM3011 CG HIS B 176 64.846 −38.786 −65.024 1.00 54.57 MOL1 C ATOM 3012 CD2HIS B 176 64.443 −38.915 −66.310 1.00 56.32 MOL1 C ATOM 3013 ND1 HIS B176 63.741 −39.040 −64.245 1.00 47.59 MOL1 N ATOM 3014 CE1 HIS B 17662.712 −39.314 −65.028 1.00 57.73 MOL1 C ATOM 3015 NE2 HIS B 176 63.111−39.245 −66.286 1.00 55.09 MOL1 N ATOM 3016 C HIS B 176 67.473 −37.301−62.687 1.00 60.01 MOL1 C ATOM 3017 O HIS B 176 68.550 −37.359 −63.2771.00 63.17 MOL1 O ATOM 3018 N THR B 177 67.377 −37.199 −61.369 1.0049.33 MOL1 N ATOM 3019 CA THR B 177 68.564 −37.228 −60.542 1.00 44.72MOL1 C ATOM 3020 CB THR B 177 68.535 −36.154 −59.466 1.00 44.70 MOL1 CATOM 3021 OG1 THR B 177 68.910 −34.901 −60.048 1.00 47.85 MOL1 O ATOM3022 CG2 THR B 177 69.493 −36.513 −58.319 1.00 37.69 MOL1 C ATOM 3023 CTHR B 177 68.557 −38.587 −59.883 1.00 44.14 MOL1 C ATOM 3024 O THR B 17767.717 −38.863 −59.032 1.00 48.38 MOL1 O ATOM 3025 N PHE B 178 69.496−39.437 −60.276 1.00 36.90 MOL1 N ATOM 3026 CA PHE B 178 69.556 −40.784−59.757 1.00 35.45 MOL1 C ATOM 3027 CB PHE B 178 70.324 −41.622 −60.7491.00 34.29 MOL1 C ATOM 3028 CG PHE B 178 69.831 −41.470 −62.154 1.0034.63 MOL1 C ATOM 3029 CD1 PHE B 178 68.988 −42.419 −62.722 1.00 41.22MOL1 C ATOM 3030 CD2 PHE B 178 70.168 −40.363 −62.898 1.00 31.17 MOL1 CATOM 3031 CE1 PHE B 178 68.489 −42.261 −64.007 1.00 31.40 MOL1 C ATOM3032 CE2 PHE B 178 69.671 −40.200 −64.187 1.00 36.21 MOL1 C ATOM 3033 CZPHE B 178 68.834 −41.147 −64.735 1.00 34.22 MOL1 C ATOM 3034 C PHE B 17870.133 −40.938 −58.361 1.00 38.82 MOL1 C ATOM 3035 O PHE B 178 70.817−40.066 −57.844 1.00 41.93 MOL1 O ATOM 3036 N PRO B 179 69.823 −42.053−57.717 1.00 39.92 MOL1 N ATOM 3037 CD PRO B 179 68.718 −42.912 −58.1471.00 42.26 MOL1 C ATOM 3038 CA PRO B 179 70.266 −42.412 −56.374 1.0047.21 MOL1 C ATOM 3039 CB PRO B 179 69.563 −43.732 −56.129 1.00 46.52MOL1 C ATOM 3040 CG PRO B 179 68.292 −43.536 −56.842 1.00 52.05 MOL1 CATOM 3041 C PRO B 179 71.763 −42.577 −56.319 1.00 55.33 MOL1 C ATOM 3042O PRO B 179 72.362 −43.179 −57.207 1.00 63.13 MOL1 O ATOM 3043 N ALA B180 72.374 −42.053 −55.270 1.00 61.91 MOL1 N ATOM 3044 CA ALA B 18073.815 −42.181 −55.123 1.00 66.51 MOL1 C ATOM 3045 CB ALA B 180 74.289−41.361 −53.931 1.00 67.83 MOL1 C ATOM 3046 C ALA B 180 74.169 −43.653−54.925 1.00 65.38 MOL1 C ATOM 3047 O ALA B 180 73.400 −44.417 −54.3501.00 64.94 MOL1 O ATOM 3048 N VAL B 181 75.335 −44.050 −55.410 1.0064.96 MOL1 N ATOM 3049 CA VAL B 181 75.767 −45.420 −55.260 1.00 65.29MOL1 C ATOM 3050 CB VAL B 181 75.769 −46.121 −56.625 1.00 61.30 MOL1 CATOM 3051 CG1 VAL B 181 76.559 −45.307 −57.626 1.00 64.46 MOL1 C ATOM3052 CG2 VAL B 181 76.329 −47.508 −56.486 1.00 64.55 MOL1 C ATOM 3053 CVAL B 181 77.149 −45.427 −54.610 1.00 66.47 MOL1 C ATOM 3054 O VAL B 18177.930 −44.495 −54.776 1.00 67.34 MOL1 O ATOM 3055 N LEU B 182 77.437−46.476 −53.857 1.00 69.39 MOL1 N ATOM 3056 CA LEU B 182 78.691 −46.592−53.137 1.00 78.26 MOL1 C ATOM 3057 CB LEU B 182 78.452 −47.552 −51.9711.00 70.74 MOL1 C ATOM 3058 CG LEU B 182 79.035 −47.244 −50.592 1.0065.11 MOL1 C ATOM 3059 CD1 LEU B 182 78.896 −45.782 −50.266 1.00 60.40MOL1 C ATOM 3060 CD2 LEU B 182 78.320 −48.081 −49.560 1.00 60.68 MOL1 CATOM 3061 C LEU B 182 79.862 −47.069 −54.004 1.00 87.33 MOL1 C ATOM 3062O LEU B 182 79.929 −48.242 −54.360 1.00 91.59 MOL1 O ATOM 3063 N GLN B183 80.782 −46.166 −54.347 1.00 95.95 MOL1 N ATOM 3064 CA GLN B 18381.940 −46.550 −55.159 1.00 103.35 MOL1 C ATOM 3065 CB GLN B 183 82.149−45.585 −56.339 1.00 105.01 MOL1 C ATOM 3066 CG GLN B 183 82.928 −46.219−57.510 1.00 108.00 MOL1 C ATOM 3067 CD GLN B 183 83.172 −45.267 −58.6861.00 107.81 MOL1 C ATOM 3068 OE1 GLN B 183 82.239 −44.649 −59.208 1.00102.97 MOL1 O ATOM 3069 NE2 GLN B 183 84.433 −45.161 −59.114 1.00 106.13MOL1 N ATOM 3070 C GLN B 183 83.192 −46.588 −54.282 1.00 107.21 MOL1 CATOM 3071 O GLN B 183 83.994 −45.644 −54.255 1.00 107.06 MOL1 O ATOM3072 N SER B 184 83.338 −47.696 −53.560 1.00 108.45 MOL1 N ATOM 3073 CASER B 184 84.467 −47.900 −52.670 1.00 106.07 MOL1 C ATOM 3074 CB SER B184 85.754 −48.042 −53.491 1.00 109.58 MOL1 C ATOM 3075 OG SER B 18485.668 −49.151 −54.380 1.00 107.72 MOL1 O ATOM 3076 C SER B 184 84.577−46.756 −51.664 1.00 102.55 MOL1 C ATOM 3077 O SER B 184 85.286 −45.768−51.876 1.00 98.16 MOL1 O ATOM 3078 N ASP B 185 83.833 −46.908 −50.5761.00 99.87 MOL1 N ATOM 3079 CA ASP B 185 83.800 −45.945 −49.489 1.0099.99 MOL1 C ATOM 3080 CB ASP B 185 85.049 −46.132 −48.633 1.00 113.23MOL1 C ATOM 3081 CG ASP B 185 85.294 −47.599 −48.287 1.00 121.20 MOL1 CATOM 3082 OD1 ASP B 185 84.360 −48.258 −47.771 1.00 123.76 MOL1 O ATOM3083 OD2 ASP B 185 86.417 −48.092 −48.537 1.00 125.07 MOL1 O ATOM 3084 CASP B 185 83.642 −44.500 −49.939 1.00 93.27 MOL1 C ATOM 3085 O ASP B 18584.261 −43.592 −49.402 1.00 91.74 MOL1 O ATOM 3086 N LEU B 186 82.783−44.297 −50.926 1.00 89.70 MOL1 N ATOM 3087 CA LEU B 186 82.510 −42.969−51.455 1.00 86.69 MOL1 C ATOM 3088 CB LEU B 186 83.707 −42.465 −52.2511.00 88.84 MOL1 C ATOM 3089 CG LEU B 186 84.700 −41.676 −51.407 1.0089.92 MOL1 C ATOM 3090 CD1 LEU B 186 86.042 −41.580 −52.110 1.00 95.15MOL1 C ATOM 3091 CD2 LEU B 186 84.116 −40.304 −51.137 1.00 92.37 MOL1 CATOM 3092 C LEU B 186 81.261 −42.961 −52.331 1.00 83.18 MOL1 C ATOM 3093O LEU B 186 81.013 −43.903 −53.083 1.00 80.46 MOL1 O ATOM 3094 N TYR B187 80.475 −41.892 −52.231 1.00 79.09 MOL1 N ATOM 3095 CA TYR B 18779.246 −41.781 −53.008 1.00 71.05 MOL1 C ATOM 3096 CB TYR B 187 78.164−41.040 −52.218 1.00 61.53 MOL1 C ATOM 3097 CG TYR B 187 77.685 −41.764−50.982 1.00 57.01 MOL1 C ATOM 3098 CD1 TYR B 187 77.217 −43.059 −51.0491.00 55.02 MOL1 C ATOM 3099 CE1 TYR B 187 76.772 −43.715 −49.925 1.0055.39 MOL1 C ATOM 3100 CD2 TYR B 187 77.693 −41.144 −49.751 1.00 61.70MOL1 C ATOM 3101 CE2 TYR B 187 77.248 −41.797 −48.616 1.00 66.45 MOL1 CATOM 3102 CZ TYR B 187 76.790 −43.084 −48.709 1.00 63.73 MOL1 C ATOM3103 OH TYR B 187 76.358 −43.739 −47.574 1.00 69.10 MOL1 O ATOM 3104 CTYR B 187 79.427 −41.100 −54.353 1.00 70.21 MOL1 C ATOM 3105 O TYR B 18780.110 −40.085 −54.474 1.00 70.77 MOL1 O ATOM 3106 N THR B 188 78.791−41.680 −55.362 1.00 69.39 MOL1 N ATOM 3107 CA THR B 188 78.835 −41.170−56.723 1.00 67.27 MOL1 C ATOM 3108 CB THR B 188 79.666 −42.073 −57.6251.00 69.30 MOL1 C ATOM 3109 OG1 THR B 188 81.015 −42.117 −57.148 1.0079.26 MOL1 O ATOM 3110 CG2 THR B 188 79.631 −41.560 −59.049 1.00 66.69MOL1 C ATOM 3111 C THR B 188 77.423 −41.187 −57.269 1.00 63.71 MOL1 CATOM 3112 O THR B 188 76.751 −42.216 −57.202 1.00 65.03 MOL1 O ATOM 3113N LEU B 189 76.966 −40.062 −57.806 1.00 54.59 MOL1 N ATOM 3114 CA LEU B189 75.628 −40.017 −58.361 1.00 49.73 MOL1 C ATOM 3115 CB LEU B 18974.648 −39.449 −57.338 1.00 42.85 MOL1 C ATOM 3116 CG LEU B 189 74.286−37.964 −57.332 1.00 45.67 MOL1 C ATOM 3117 CD1 LEU B 189 73.527 −37.544−58.587 1.00 38.70 MOL1 C ATOM 3118 CD2 LEU B 189 73.423 −37.721 −56.1341.00 37.05 MOL1 C ATOM 3119 C LEU B 189 75.625 −39.179 −59.619 1.0050.85 MOL1 C ATOM 3120 O LEU B 189 76.489 −38.333 −59.805 1.00 54.33MOL1 O ATOM 3121 N SER B 190 74.649 −39.424 −60.482 1.00 52.64 MOL1 NATOM 3122 CA SER B 190 74.530 −38.697 −61.735 1.00 54.20 MOL1 C ATOM3123 CB SER B 190 74.757 −39.646 −62.900 1.00 57.86 MOL1 C ATOM 3124 OGSER B 190 73.943 −40.796 −62.755 1.00 67.10 MOL1 O ATOM 3125 C SER B 19073.143 −38.105 −61.849 1.00 54.39 MOL1 C ATOM 3126 O SER B 190 72.240−38.492 −61.119 1.00 54.55 MOL1 O ATOM 3127 N SER B 191 72.972 −37.167−62.769 1.00 55.30 MOL1 N ATOM 3128 CA SER B 191 71.674 −36.547 −62.9731.00 54.42 MOL1 C ATOM 3129 CB SER B 191 71.467 −35.389 −62.014 1.0054.05 MOL1 C ATOM 3130 OG SER B 191 70.266 −34.717 −62.335 1.00 58.62MOL1 O ATOM 3131 C SER B 191 71.542 −36.039 −64.387 1.00 55.25 MOL1 CATOM 3132 O SER B 191 72.363 −35.252 −64.845 1.00 55.60 MOL1 O ATOM 3133N SER B 192 70.503 −36.496 −65.075 1.00 57.49 MOL1 N ATOM 3134 CA SER B192 70.266 −36.083 −66.447 1.00 61.32 MOL1 C ATOM 3135 CB SER B 19269.892 −37.274 −67.324 1.00 65.44 MOL1 C ATOM 3136 OG SER B 192 68.551−37.665 −67.081 1.00 73.00 MOL1 O ATOM 3137 C SER B 192 69.132 −35.086−66.492 1.00 59.32 MOL1 C ATOM 3138 O SER B 192 68.349 −34.980 −65.5561.00 58.01 MOL1 O ATOM 3139 N VAL B 193 69.059 −34.361 −67.599 1.0059.58 MOL1 N ATOM 3140 CA VAL B 193 68.026 −33.364 −67.820 1.00 59.14MOL1 C ATOM 3141 CB VAL B 193 68.414 −31.991 −67.232 1.00 58.14 MOL1 CATOM 3142 CG1 VAL B 193 69.794 −31.566 −67.710 1.00 50.78 MOL1 C ATOM3143 CG2 VAL B 193 67.375 −30.971 −67.633 1.00 54.34 MOL1 C ATOM 3144 CVAL B 193 67.775 −33.209 −69.307 1.00 60.40 MOL1 C ATOM 3145 O VAL B 19368.679 −32.894 −70.076 1.00 63.83 MOL1 O ATOM 3146 N THR B 194 66.545−33.448 −69.725 1.00 59.61 MOL1 N ATOM 3147 CA THR B 194 66.239 −33.325−71.133 1.00 67.96 MOL1 C ATOM 3148 CB THR B 194 65.172 −34.333 −71.5511.00 68.81 MOL1 C ATOM 3149 OG1 THR B 194 65.509 −35.610 −70.996 1.0077.62 MOL1 O ATOM 3150 CG2 THR B 194 65.114 −34.466 −73.079 1.00 63.49MOL1 C ATOM 3151 C THR B 194 65.791 −31.904 −71.423 1.00 73.21 MOL1 CATOM 3152 O THR B 194 65.368 −31.179 −70.527 1.00 76.10 MOL1 O ATOM 3153N VAL B 195 65.883 −31.506 −72.684 1.00 76.41 MOL1 N ATOM 3154 CA VAL B195 65.545 −30.150 −73.068 1.00 74.34 MOL1 C ATOM 3155 CB VAL B 19566.631 −29.206 −72.555 1.00 66.37 MOL1 C ATOM 3156 CG1 VAL B 195 67.130−28.335 −73.675 1.00 61.14 MOL1 C ATOM 3157 CG2 VAL B 195 66.110 −28.397−71.401 1.00 63.66 MOL1 C ATOM 3158 C VAL B 195 65.457 −30.016 −74.5851.00 81.67 MOL1 C ATOM 3159 O VAL B 195 66.125 −30.733 −75.325 1.0083.13 MOL1 O ATOM 3160 N PRO B 196 64.634 −29.081 −75.066 1.00 88.47MOL1 N ATOM 3161 CD PRO B 196 63.774 −28.181 −74.282 1.00 92.03 MOL1 CATOM 3162 CA PRO B 196 64.462 −28.854 −76.506 1.00 91.83 MOL1 C ATOM3163 CB PRO B 196 63.408 −27.750 −76.561 1.00 93.80 MOL1 C ATOM 3164 CGPRO B 196 62.659 −27.902 −75.253 1.00 94.40 MOL1 C ATOM 3165 C PRO B 19665.763 −28.429 −77.180 1.00 94.22 MOL1 C ATOM 3166 O PRO B 196 66.427−27.493 −76.734 1.00 92.88 MOL1 O ATOM 3167 N SER B 197 66.113 −29.115−78.262 1.00 97.48 MOL1 N ATOM 3168 CA SER B 197 67.334 −28.826 −79.0071.00 100.32 MOL1 C ATOM 3169 CB SER B 197 67.385 −29.693 −80.272 1.0096.90 MOL1 C ATOM 3170 OG SER B 197 66.139 −29.707 −80.948 1.00 94.23MOL1 O ATOM 3171 C SER B 197 67.478 −27.356 −79.377 1.00 104.09 MOL1 CATOM 3172 O SER B 197 68.592 −26.849 −79.514 1.00 104.50 MOL1 O ATOM3173 N SER B 198 66.347 −26.674 −79.533 1.00 109.43 MOL1 N ATOM 3174 CASER B 198 66.355 −25.263 −79.897 1.00 110.51 MOL1 C ATOM 3175 CB SER B198 64.976 −24.833 −80.411 1.00 108.99 MOL1 C ATOM 3176 OG SER B 19863.989 −24.930 −79.401 1.00 111.15 MOL1 O ATOM 3177 C SER B 198 66.780−24.372 −78.733 1.00 109.23 MOL1 C ATOM 3178 O SER B 198 67.292 −23.275−78.952 1.00 110.24 MOL1 O ATOM 3179 N THR B 199 66.580 −24.848 −77.5031.00 108.30 MOL1 N ATOM 3180 CA THR B 199 66.951 −24.080 −76.310 1.00110.76 MOL1 C ATOM 3181 CB THR B 199 65.942 −24.276 −75.138 1.00 113.30MOL1 C ATOM 3182 OG1 THR B 199 65.832 −25.667 −74.821 1.00 114.54 MOL1 OATOM 3183 CG2 THR B 199 64.566 −23.722 −75.502 1.00 118.95 MOL1 C ATOM3184 C THR B 199 68.343 −24.413 −75.769 1.00 108.82 MOL1 C ATOM 3185 OTHR B 199 68.614 −24.202 −74.584 1.00 105.85 MOL1 O ATOM 3186 N TRP B200 69.208 −24.946 −76.633 1.00 107.48 MOL1 N ATOM 3187 CA TRP B 20070.586 −25.292 −76.269 1.00 103.53 MOL1 C ATOM 3188 CB TRP B 200 70.656−26.539 −75.387 1.00 95.81 MOL1 C ATOM 3189 CG TRP B 200 72.013 −26.735−74.724 1.00 90.49 MOL1 C ATOM 3190 CD2 TRP B 200 73.033 −27.677 −75.0941.00 86.20 MOL1 C ATOM 3191 CE2 TRP B 200 74.106 −27.515 −74.183 1.0082.66 MOL1 C ATOM 3192 CE3 TRP B 200 73.144 −28.641 −76.103 1.00 80.27MOL1 C ATOM 3193 CD1 TRP B 200 72.503 −26.059 −73.638 1.00 91.69 MOL1 CATOM 3194 NE1 TRP B 200 73.758 −26.523 −73.306 1.00 84.66 MOL1 N ATOM3195 CZ2 TRP B 200 75.265 −28.278 −74.254 1.00 77.42 MOL1 C ATOM 3196CZ3 TRP B 200 74.296 −29.397 −76.170 1.00 74.97 MOL1 C ATOM 3197 CH2 TRPB 200 75.341 −29.213 −75.252 1.00 78.91 MOL1 C ATOM 3198 C TRP B 20071.377 −25.572 −77.531 1.00 106.26 MOL1 C ATOM 3199 O TRP B 200 70.889−26.238 −78.443 1.00 105.91 MOL1 O ATOM 3200 N PRO B 201 72.622 −25.080−77.597 1.00 109.15 MOL1 N ATOM 3201 CD PRO B 201 73.557 −25.484 −78.6591.00 106.75 MOL1 C ATOM 3202 CA PRO B 201 73.313 −24.290 −76.566 1.00110.89 MOL1 C ATOM 3203 CB PRO B 201 74.772 −24.323 −77.019 1.00 108.78MOL1 C ATOM 3204 CG PRO B 201 74.846 −25.553 −77.912 1.00 108.54 MOL1 CATOM 3205 C PRO B 201 72.801 −22.855 −76.450 1.00 114.98 MOL1 C ATOM3206 O PRO B 201 73.366 −22.051 −75.706 1.00 115.76 MOL1 O ATOM 3207 NSER B 202 71.742 −22.545 −77.201 1.00 117.80 MOL1 N ATOM 3208 CA SER B202 71.126 −21.219 −77.212 1.00 119.64 MOL1 C ATOM 3209 CB SER B 20269.705 −21.322 −77.764 1.00 117.95 MOL1 C ATOM 3210 OG SER B 202 69.691−22.078 −78.964 1.00 117.45 MOL1 O ATOM 3211 C SER B 202 71.098 −20.610−75.812 1.00 123.42 MOL1 C ATOM 3212 O SER B 202 71.941 −19.774 −75.4761.00 126.01 MOL1 O ATOM 3213 N GLU B 203 70.126 −21.013 −74.997 1.00125.06 MOL1 N ATOM 3214 CA GLU B 203 70.054 −20.503 −73.633 1.00 127.20MOL1 C ATOM 3215 CB GLU B 203 68.661 −20.722 −73.028 1.00 132.57 MOL1 CATOM 3216 CG GLU B 203 67.622 −19.666 −73.421 1.00 136.08 MOL1 C ATOM3217 CD GLU B 203 66.306 −19.821 −72.662 1.00 139.23 MOL1 C ATOM 3218OE1 GLU B 203 65.553 −20.785 −72.933 1.00 139.00 MOL1 O ATOM 3219 OE2GLU B 203 66.028 −18.977 −71.783 1.00 141.09 MOL1 O ATOM 3220 C GLU B203 71.115 −21.241 −72.820 1.00 126.53 MOL1 C ATOM 3221 O GLU B 20371.971 −21.915 −73.389 1.00 125.59 MOL1 O ATOM 3222 N THR B 204 71.074−21.118 −71.499 1.00 127.33 MOL1 N ATOM 3223 CA THR B 204 72.072 −21.792−70.672 1.00 127.07 MOL1 C ATOM 3224 CB THR B 204 72.915 −20.775 −69.8521.00 131.21 MOL1 C ATOM 3225 OG1 THR B 204 72.050 −19.947 −69.060 1.00133.18 MOL1 O ATOM 3226 CG2 THR B 204 73.756 −19.902 −70.787 1.00 131.27MOL1 C ATOM 3227 C THR B 204 71.500 −22.841 −69.718 1.00 124.11 MOL1 CATOM 3228 O THR B 204 70.357 −22.739 −69.254 1.00 125.30 MOL1 O ATOM3229 N VAL B 205 72.318 −23.854 −69.440 1.00 116.10 MOL1 N ATOM 3230 CAVAL B 205 71.960 −24.957 −68.553 1.00 105.02 MOL1 C ATOM 3231 CB VAL B205 71.807 −26.267 −69.329 1.00 98.74 MOL1 C ATOM 3232 CG1 VAL B 20570.477 −26.318 −70.020 1.00 96.87 MOL1 C ATOM 3233 CG2 VAL B 205 72.917−26.371 −70.356 1.00 94.57 MOL1 C ATOM 3234 C VAL B 205 73.104 −25.154−67.582 1.00 100.78 MOL1 C ATOM 3235 O VAL B 205 74.244 −25.310 −67.9981.00 99.79 MOL1 O ATOM 3236 N THR B 206 72.808 −25.153 −66.292 1.0097.98 MOL1 N ATOM 3237 CA THR B 206 73.856 −25.337 −65.302 1.00 95.66MOL1 C ATOM 3238 CB THR B 206 74.294 −23.992 −64.699 1.00 93.03 MOL1 CATOM 3239 OG1 THR B 206 74.887 −23.186 −65.725 1.00 91.37 MOL1 O ATOM3240 CG2 THR B 206 75.300 −24.209 −63.579 1.00 90.05 MOL1 C ATOM 3241 CTHR B 206 73.459 −26.281 −64.174 1.00 96.57 MOL1 C ATOM 3242 O THR B 20672.320 −26.311 −63.715 1.00 99.11 MOL1 O ATOM 3243 N CYS B 207 74.432−27.059 −63.739 1.00 94.81 MOL1 N ATOM 3244 CA CYS B 207 74.249 −28.023−62.679 1.00 94.38 MOL1 C ATOM 3245 C CYS B 207 74.416 −27.283 −61.3521.00 95.96 MOL1 C ATOM 3246 O CYS B 207 75.268 −26.406 −61.237 1.00100.43 MOL1 O ATOM 3247 CB CYS B 207 75.324 −29.091 −62.840 1.00 92.91MOL1 C ATOM 3248 SG CYS B 207 75.218 −30.541 −61.758 1.00 94.39 MOL1 SATOM 3249 N ASN B 208 73.610 −27.619 −60.352 1.00 95.58 MOL1 N ATOM 3250CA ASN B 208 73.728 −26.957 −59.054 1.00 93.33 MOL1 C ATOM 3251 CB ASN B208 72.493 −26.112 −58.762 1.00 101.23 MOL1 C ATOM 3252 CG ASN B 20872.342 −24.967 −59.729 1.00 106.59 MOL1 C ATOM 3253 OD1 ASN B 208 73.171−24.053 −59.763 1.00 108.28 MOL1 O ATOM 3254 ND2 ASN B 208 71.284−25.010 −60.533 1.00 110.86 MOL1 N ATOM 3255 C ASN B 208 73.920 −27.963−57.946 1.00 89.80 MOL1 C ATOM 3256 O ASN B 208 72.980 −28.305 −57.2241.00 93.52 MOL1 O ATOM 3257 N VAL B 209 75.152 −28.430 −57.804 1.0082.22 MOL1 N ATOM 3258 CA VAL B 209 75.461 −29.415 −56.781 1.00 75.59MOL1 C ATOM 3259 CB VAL B 209 76.679 −30.275 −57.181 1.00 69.13 MOL1 CATOM 3260 CG1 VAL B 209 76.822 −31.430 −56.224 1.00 63.09 MOL1 C ATOM3261 CG2 VAL B 209 76.521 −30.788 −58.604 1.00 61.88 MOL1 C ATOM 3262 CVAL B 209 75.735 −28.747 −55.442 1.00 76.74 MOL1 C ATOM 3263 O VAL B 20976.397 −27.715 −55.377 1.00 77.01 MOL1 O ATOM 3264 N ALA B 210 75.220−29.340 −54.371 1.00 78.60 MOL1 N ATOM 3265 CA ALA B 210 75.410 −28.787−53.041 1.00 77.60 MOL1 C ATOM 3266 CB ALA B 210 74.193 −27.986 −52.6411.00 80.72 MOL1 C ATOM 3267 C ALA B 210 75.682 −29.877 −52.020 1.0080.42 MOL1 C ATOM 3268 O ALA B 210 74.932 −30.850 −51.914 1.00 83.39MOL1 O ATOM 3269 N HIS B 211 76.757 −29.695 −51.262 1.00 83.26 MOL1 NATOM 3270 CA HIS B 211 77.180 −30.660 −50.249 1.00 89.17 MOL1 C ATOM3271 CB HIS B 211 78.591 −31.157 −50.612 1.00 80.09 MOL1 C ATOM 3272 CGHIS B 211 79.044 −32.363 −49.847 1.00 74.52 MOL1 C ATOM 3273 CD2 HIS B211 80.257 −32.694 −49.343 1.00 73.27 MOL1 C ATOM 3274 ND1 HIS B 21178.215 −33.427 −49.565 1.00 71.41 MOL1 N ATOM 3275 CE1 HIS B 211 78.897−34.357 −48.918 1.00 67.19 MOL1 C ATOM 3276 NE2 HIS B 211 80.139 −33.937−48.771 1.00 62.80 MOL1 N ATOM 3277 C HIS B 211 77.166 −30.039 −48.8441.00 96.03 MOL1 C ATOM 3278 O HIS B 211 78.145 −29.435 −48.408 1.0093.90 MOL1 O ATOM 3279 N PRO B 212 76.043 −30.179 −48.123 1.00 102.85MOL1 N ATOM 3280 CD PRO B 212 74.773 −30.777 −48.572 1.00 105.49 MOL1 CATOM 3281 CA PRO B 212 75.912 −29.629 −46.771 1.00 105.91 MOL1 C ATOM3282 CB PRO B 212 74.529 −30.117 −46.338 1.00 107.78 MOL1 C ATOM 3283 CGPRO B 212 73.768 −30.131 −47.636 1.00 108.54 MOL1 C ATOM 3284 C PRO B212 77.021 −30.110 −45.837 1.00 106.85 MOL1 C ATOM 3285 O PRO B 21277.750 −29.304 −45.265 1.00 109.43 MOL1 O ATOM 3286 N ALA B 213 77.143−31.426 −45.691 1.00 106.07 MOL1 N ATOM 3287 CA ALA B 213 78.155 −32.025−44.822 1.00 104.23 MOL1 C ATOM 3288 CB ALA B 213 78.274 −33.511 −45.1091.00 104.88 MOL1 C ATOM 3289 C ALA B 213 79.522 −31.376 −44.961 1.00102.80 MOL1 C ATOM 3290 O ALA B 213 80.322 −31.401 −44.029 1.00 105.87MOL1 O ATOM 3291 N SER B 214 79.790 −30.806 −46.129 1.00 100.89 MOL1 NATOM 3292 CA SER B 214 81.067 −30.154 −46.388 1.00 100.65 MOL1 C ATOM3293 CB SER B 214 81.787 −30.838 −47.545 1.00 97.12 MOL1 C ATOM 3294 OGSER B 214 82.696 −29.959 −48.175 1.00 88.48 MOL1 O ATOM 3295 C SER B 21480.876 −28.689 −46.719 1.00 104.48 MOL1 C ATOM 3296 O SER B 214 81.816−28.009 −47.118 1.00 105.37 MOL1 O ATOM 3297 N SER B 215 79.650 −28.208−46.558 1.00 109.71 MOL1 N ATOM 3298 CA SER B 215 79.318 −26.810 −46.8371.00 113.22 MOL1 C ATOM 3299 CB SER B 215 79.953 −25.881 −45.789 1.00113.27 MOL1 C ATOM 3300 OG SER B 215 81.366 −25.857 −45.892 1.00 110.37MOL1 O ATOM 3301 C SER B 215 79.751 −26.371 −48.235 1.00 112.71 MOL1 CATOM 3302 O SER B 215 79.950 −25.181 −48.487 1.00 110.22 MOL1 O ATOM3303 N THR B 216 79.895 −27.339 −49.135 1.00 113.28 MOL1 N ATOM 3304 CATHR B 216 80.289 −27.067 −50.515 1.00 112.49 MOL1 C ATOM 3305 CB THR B216 80.989 −28.287 −51.163 1.00 116.13 MOL1 C ATOM 3306 OG1 THR B 21681.951 −28.842 −50.256 1.00 116.88 MOL1 O ATOM 3307 CG2 THR B 216 81.684−27.868 −52.452 1.00 116.06 MOL1 C ATOM 3308 C THR B 216 79.026 −26.791−51.320 1.00 109.89 MOL1 C ATOM 3309 O THR B 216 77.954 −27.302 −50.9881.00 110.41 MOL1 O ATOM 3310 N LYS B 217 79.150 −25.998 −52.377 1.00105.80 MOL1 N ATOM 3311 CA LYS B 217 78.004 −25.675 −53.212 1.00 109.45MOL1 C ATOM 3312 CB LYS B 217 77.182 −24.527 −52.599 1.00 119.31 MOL1 CATOM 3313 CG LYS B 217 76.444 −24.889 −51.289 1.00 129.29 MOL1 C ATOM3314 CD LYS B 217 75.516 −23.773 −50.775 1.00 131.72 MOL1 C ATOM 3315 CELYS B 217 74.728 −24.222 −49.533 1.00 133.19 MOL1 C ATOM 3316 NZ LYS B217 73.777 −23.188 −49.007 1.00 131.75 MOL1 N ATOM 3317 C LYS B 21778.509 −25.271 −54.576 1.00 107.36 MOL1 C ATOM 3318 O LYS B 217 78.557−24.085 −54.899 1.00 110.84 MOL1 O ATOM 3319 N VAL B 218 78.882 −26.265−55.375 1.00 103.91 MOL1 N ATOM 3320 CA VAL B 218 79.402 −26.015 −56.7151.00 99.65 MOL1 C ATOM 3321 CB VAL B 218 80.450 −27.042 −57.108 1.0097.19 MOL1 C ATOM 3322 CG1 VAL B 218 80.853 −26.820 −58.554 1.00 94.99MOL1 C ATOM 3323 CG2 VAL B 218 81.647 −26.933 −56.186 1.00 100.48 MOL1 CATOM 3324 C VAL B 218 78.379 −25.983 −57.839 1.00 98.84 MOL1 C ATOM 3325O VAL B 218 77.386 −26.710 −57.833 1.00 99.53 MOL1 O ATOM 3326 N ASP B219 78.637 −25.123 −58.812 1.00 98.56 MOL1 N ATOM 3327 CA ASP B 21977.765 −25.000 −59.961 1.00 102.84 MOL1 C ATOM 3328 CB ASP B 219 77.104−23.613 −59.998 1.00 112.70 MOL1 C ATOM 3329 CG ASP B 219 78.114 −22.472−60.101 1.00 122.00 MOL1 C ATOM 3330 OD1 ASP B 219 79.026 −22.396−59.245 1.00 127.83 MOL1 O ATOM 3331 OD2 ASP B 219 77.989 −21.646−61.036 1.00 124.13 MOL1 O ATOM 3332 C ASP B 219 78.643 −25.211 −61.1801.00 100.52 MOL1 C ATOM 3333 O ASP B 219 79.737 −24.661 −61.264 1.00100.80 MOL1 O ATOM 3334 N LYS B 220 78.181 −26.031 −62.114 1.00 99.48MOL1 N ATOM 3335 CA LYS B 220 78.959 −26.285 −63.318 1.00 102.77 MOL1 CATOM 3336 CB LYS B 220 79.492 −27.723 −63.339 1.00 105.07 MOL1 C ATOM3337 CG LYS B 220 80.752 −27.941 −64.205 1.00 101.06 MOL1 C ATOM 3338 CDLYS B 220 82.027 −27.800 −63.364 1.00 99.44 MOL1 C ATOM 3339 CE LYS B220 83.278 −28.285 −64.093 1.00 96.80 MOL1 C ATOM 3340 NZ LYS B 22084.404 −28.566 −63.141 1.00 91.69 MOL1 N ATOM 3341 C LYS B 220 78.084−26.056 −64.536 1.00 103.79 MOL1 C ATOM 3342 O LYS B 220 77.029 −26.668−64.682 1.00 105.73 MOL1 O ATOM 3343 N LYS B 221 78.530 −25.161 −65.4061.00 104.74 MOL1 N ATOM 3344 CA LYS B 221 77.801 −24.838 −66.625 1.00106.44 MOL1 C ATOM 3345 CB LYS B 221 78.335 −23.527 −67.230 1.00 115.48MOL1 C ATOM 3346 CG LYS B 221 78.279 −22.304 −66.294 1.00 127.04 MOL1 CATOM 3347 CD LYS B 221 79.219 −21.154 −66.729 1.00 131.38 MOL1 C ATOM3348 CE LYS B 221 78.824 −20.516 −68.064 1.00 133.20 MOL1 C ATOM 3349 NZLYS B 221 79.750 −19.404 −68.453 1.00 128.30 MOL1 N ATOM 3350 C LYS B221 78.032 −25.963 −67.617 1.00 101.80 MOL1 C ATOM 3351 O LYS B 22179.152 −26.446 −67.745 1.00 100.90 MOL1 O ATOM 3352 N ILE B 222 76.984−26.380 −68.319 1.00 100.90 MOL1 N ATOM 3353 CA ILE B 222 77.120 −27.442−69.315 1.00 96.97 MOL1 C ATOM 3354 CB ILE B 222 75.862 −28.299 −69.4161.00 91.83 MOL1 C ATOM 3355 CG2 ILE B 222 76.044 −29.337 −70.493 1.0089.24 MOL1 C ATOM 3356 CG1 ILE B 222 75.561 −28.943 −68.064 1.00 86.37MOL1 C ATOM 3357 CD1 ILE B 222 76.703 −29.721 −67.504 1.00 85.83 MOL1 CATOM 3358 C ILE B 222 77.394 −26.851 −70.689 1.00 98.76 MOL1 C ATOM 3359O ILE B 222 76.498 −26.307 −71.341 1.00 100.71 MOL1 O ATOM 3360 N VAL B223 78.641 −26.972 −71.122 1.00 99.19 MOL1 N ATOM 3361 CA VAL B 22379.078 −26.442 −72.405 1.00 98.35 MOL1 C ATOM 3362 CB VAL B 223 80.310−25.552 −72.218 1.00 97.77 MOL1 C ATOM 3363 CG1 VAL B 223 81.118 −26.030−71.006 1.00 94.96 MOL1 C ATOM 3364 CG2 VAL B 223 81.173 −25.603 −73.4741.00 97.02 MOL1 C ATOM 3365 C VAL B 223 79.460 −27.558 −73.352 1.0098.65 MOL1 C ATOM 3366 O VAL B 223 80.115 −28.516 −72.951 1.00 99.88MOL1 O ATOM 3367 N PRO B 224 79.073 −27.437 −74.629 1.00 98.92 MOL1 NATOM 3368 CD PRO B 224 78.286 −26.316 −75.161 1.00 94.90 MOL1 C ATOM3369 CA PRO B 224 79.354 −28.421 −75.683 1.00 104.37 MOL1 C ATOM 3370 CBPRO B 224 78.488 −27.942 −76.842 1.00 96.75 MOL1 C ATOM 3371 CG PRO B224 78.489 −26.467 −76.654 1.00 95.48 MOL1 C ATOM 3372 C PRO B 22480.832 −28.541 −76.067 1.00 111.20 MOL1 C ATOM 3373 O PRO B 224 81.690−27.847 −75.519 1.00 111.75 MOL1 O ATOM 3374 N ARG B 225 81.114 −29.439−77.007 1.00 118.08 MOL1 N ATOM 3375 CA ARG B 225 82.473 −29.677 −77.4861.00 124.84 MOL1 C ATOM 3376 CB ARG B 225 82.742 −31.177 −77.550 1.00122.51 MOL1 C ATOM 3377 CG ARG B 225 82.489 −31.912 −76.239 1.00 119.75MOL1 C ATOM 3378 CD ARG B 225 82.337 −33.422 −76.457 1.00 116.39 MOL1 CATOM 3379 NE ARG B 225 82.076 −34.124 −75.205 1.00 111.70 MOL1 N ATOM3380 CZ ARG B 225 83.001 −34.393 −74.287 1.00 112.50 MOL1 C ATOM 3381NH1 ARG B 225 82.661 −35.029 −73.173 1.00 114.12 MOL1 N ATOM 3382 NH2ARG B 225 84.267 −34.045 −74.490 1.00 109.27 MOL1 N ATOM 3383 C ARG B225 82.613 −29.069 −78.878 1.00 133.06 MOL1 C ATOM 3384 O ARG B 22581.621 −28.913 −79.594 1.00 135.73 MOL1 O ATOM 3385 N ASP B 226 83.840−28.738 −79.269 1.00 140.52 MOL1 N ATOM 3386 CA ASP B 226 84.067 −28.126−80.575 1.00 149.72 MOL1 C ATOM 3387 CB ASP B 226 85.360 −27.296 −80.5541.00 145.64 MOL1 C ATOM 3388 CG ASP B 226 85.149 −25.893 −79.984 1.00142.50 MOL1 C ATOM 3389 OD1 ASP B 226 86.143 −25.150 −79.854 1.00 139.30MOL1 O ATOM 3390 OD2 ASP B 226 83.992 −25.527 −79.671 1.00 137.82 MOL1 OATOM 3391 C ASP B 226 84.065 −29.082 −81.776 1.00 155.68 MOL1 C ATOM3392 O ASP B 226 82.997 −29.481 −82.250 1.00 156.17 MOL1 O ATOM 3393 NCYS B 227 85.248 −29.438 −82.274 1.00 162.72 MOL1 N ATOM 3394 CA CYS B227 85.352 −30.325 −83.435 1.00 168.19 MOL1 C ATOM 3395 CB CYS B 22786.735 −30.162 −84.109 1.00 171.79 MOL1 C ATOM 3396 SG CYS B 227 88.179−31.014 −83.367 1.00 175.58 MOL1 S ATOM 3397 C CYS B 227 85.079 −31.797−83.104 1.00 169.02 MOL1 C ATOM 3398 O CYS B 227 84.756 −32.089 −81.9301.00 168.83 MOL1 O ATOM 3399 OXT CYS B 227 85.171 −32.640 −84.026 1.00169.12 MOL1 O ATOM 3400 CB GLU F 15 22.974 −19.456 −42.886 1.00 149.87MOL1 C ATOM 3401 CG GLU F 15 22.375 −19.287 −41.505 1.00 144.07 MOL1 CATOM 3402 CD GLU F 15 21.496 −20.457 −41.117 1.00 141.32 MOL1 C ATOM3403 OE1 GLU F 15 22.037 −21.457 −40.599 1.00 139.31 MOL1 O ATOM 3404OE2 GLU F 15 20.271 −20.383 −41.342 1.00 136.53 MOL1 O ATOM 3405 C GLU F15 21.960 −17.725 −44.377 1.00 155.87 MOL1 C ATOM 3406 O GLU F 15 22.161−17.366 −45.539 1.00 156.62 MOL1 O ATOM 3407 N GLU F 15 22.347 −20.014−45.220 1.00 152.69 MOL1 N ATOM 3408 CA GLU F 15 21.974 −19.212 −44.0181.00 153.60 MOL1 C ATOM 3409 N SER F 16 21.731 −16.866 −43.384 1.00157.81 MOL1 N ATOM 3410 CA SER F 16 21.685 −15.421 −43.619 1.00 158.62MOL1 C ATOM 3411 CB SER F 16 20.704 −15.094 −44.752 1.00 156.06 MOL1 CATOM 3412 OG SER F 16 19.358 −15.219 −44.325 1.00 151.69 MOL1 O ATOM3413 C SER F 16 21.286 −14.614 −42.382 1.00 161.17 MOL1 C ATOM 3414 OSER F 16 21.486 −13.404 −42.334 1.00 162.33 MOL1 O ATOM 3415 N CYS F 1720.720 −15.285 −41.386 1.00 163.62 MOL1 N ATOM 3416 CA CYS F 17 20.282−14.628 −40.154 1.00 164.31 MOL1 C ATOM 3417 C CYS F 17 21.380 −13.767−39.528 1.00 165.32 MOL1 C ATOM 3418 O CYS F 17 22.566 −13.976 −39.7851.00 164.46 MOL1 O ATOM 3419 CB CYS F 17 19.846 −15.681 −39.140 1.00162.75 MOL1 C ATOM 3420 SG CYS F 17 19.205 −17.206 −39.897 1.00 160.53MOL1 S ATOM 3421 N PRO F 18 20.987 −12.782 −38.698 1.00 166.83 MOL1 NATOM 3422 CD PRO F 18 19.585 −12.387 −38.472 1.00 165.88 MOL1 C ATOM3423 CA PRO F 18 21.903 −11.865 −38.006 1.00 167.58 MOL1 C ATOM 3424 CBPRO F 18 20.957 −10.992 −37.185 1.00 166.11 MOL1 C ATOM 3425 CG PRO F 1819.725 −10.947 −38.036 1.00 166.04 MOL1 C ATOM 3426 C PRO F 18 22.880−12.636 −37.122 1.00 169.16 MOL1 C ATOM 3427 O PRO F 18 22.543 −13.037−36.008 1.00 167.54 MOL1 O ATOM 3428 N PRO F 19 24.111 −12.837 −37.6111.00 172.45 MOL1 N ATOM 3429 CD PRO F 19 24.580 −12.245 −38.878 1.00172.44 MOL1 C ATOM 3430 CA PRO F 19 25.202 −13.555 −36.940 1.00 175.08MOL1 C ATOM 3431 CB PRO F 19 26.425 −13.162 −37.769 1.00 174.52 MOL1 CATOM 3432 CG PRO F 19 25.850 −13.024 −39.149 1.00 173.92 MOL1 C ATOM3433 C PRO F 19 25.402 −13.286 −35.441 1.00 176.12 MOL1 C ATOM 3434 OPRO F 19 24.737 −12.436 −34.841 1.00 174.47 MOL1 O ATOM 3435 N VAL F 2026.322 −14.041 −34.848 1.00 177.57 MOL1 N ATOM 3436 CA VAL F 20 26.659−13.908 −33.437 1.00 178.58 MOL1 C ATOM 3437 CB VAL F 20 26.466 −15.253−32.686 1.00 178.29 MOL1 C ATOM 3438 CG1 VAL F 20 24.982 −15.571 −32.5741.00 176.76 MOL1 C ATOM 3439 CG2 VAL F 20 27.191 −16.378 −33.420 1.00176.99 MOL1 C ATOM 3440 C VAL F 20 28.119 −13.451 −33.346 1.00 180.71MOL1 C ATOM 3441 O VAL F 20 28.845 −13.480 −34.346 1.00 181.31 MOL1 OATOM 3442 N PRO F 21 28.566 −13.008 −32.155 1.00 182.04 MOL1 N ATOM 3443CD PRO F 21 27.795 −12.900 −30.899 1.00 182.08 MOL1 C ATOM 3444 CA PRO F21 29.946 −12.545 −31.957 1.00 181.92 MOL1 C ATOM 3445 CB PRO F 2130.098 −12.597 −30.440 1.00 181.19 MOL1 C ATOM 3446 CG PRO F 21 28.743−12.119 −29.987 1.00 180.80 MOL1 C ATOM 3447 C PRO F 21 31.028 −13.345−32.703 1.00 181.93 MOL1 C ATOM 3448 O PRO F 21 31.999 −12.769 −33.2021.00 180.80 MOL1 O ATOM 3449 N GLY F 22 30.860 −14.663 −32.780 1.00182.34 MOL1 N ATOM 3450 CA GLY F 22 31.831 −15.486 −33.484 1.00 181.41MOL1 C ATOM 3451 C GLY F 22 32.213 −16.792 −32.806 1.00 180.52 MOL1 CATOM 3452 O GLY F 22 32.647 −16.800 −31.651 1.00 181.38 MOL1 O ATOM 3453N GLY F 23 32.055 −17.900 −33.530 1.00 178.22 MOL1 N ATOM 3454 CA GLY F23 32.400 −19.208 −32.995 1.00 174.34 MOL1 C ATOM 3455 C GLY F 23 31.603−19.638 −31.775 1.00 171.67 MOL1 C ATOM 3456 O GLY F 23 32.174 −19.920−30.718 1.00 170.67 MOL1 O ATOM 3457 N SER F 24 30.281 −19.692 −31.9201.00 168.80 MOL1 N ATOM 3458 CA SER F 24 29.402 −20.095 −30.825 1.00164.63 MOL1 C ATOM 3459 CB SER F 24 29.323 −18.982 −29.772 1.00 165.56MOL1 C ATOM 3460 OG SER F 24 28.530 −19.374 −28.662 1.00 164.93 MOL1 OATOM 3461 C SER F 24 28.001 −20.419 −31.345 1.00 160.92 MOL1 C ATOM 3462O SER F 24 27.533 −19.812 −32.314 1.00 160.03 MOL1 O ATOM 3463 N MET F25 27.340 −21.378 −30.696 1.00 155.68 MOL1 N ATOM 3464 CA MET F 2525.992 −21.790 −31.083 1.00 148.46 MOL1 C ATOM 3465 CB MET F 25 26.061−23.054 −31.949 1.00 148.69 MOL1 C ATOM 3466 CG MET F 25 24.964 −23.169−33.015 1.00 149.35 MOL1 C ATOM 3467 SD MET F 25 25.375 −22.436 −34.6331.00 149.53 MOL1 S ATOM 3468 CE MET F 25 25.741 −23.915 −35.642 1.00145.96 MOL1 C ATOM 3469 C MET F 25 25.141 −22.048 −29.829 1.00 143.51MOL1 C ATOM 3470 O MET F 25 25.672 −22.140 −28.717 1.00 140.73 MOL1 OATOM 3471 N LYS F 26 23.826 −22.158 −30.013 1.00 138.19 MOL1 N ATOM 3472CA LYS F 26 22.907 −22.392 −28.897 1.00 134.01 MOL1 C ATOM 3473 CB LYS F26 21.479 −21.964 −29.270 1.00 133.72 MOL1 C ATOM 3474 CG LYS F 2621.216 −20.465 −29.159 1.00 133.94 MOL1 C ATOM 3475 CD LYS F 26 19.764−20.106 −29.491 1.00 134.50 MOL1 C ATOM 3476 CE LYS F 26 18.769 −20.636−28.457 1.00 134.34 MOL1 C ATOM 3477 NZ LYS F 26 18.842 −19.931 −27.1421.00 135.55 MOL1 N ATOM 3478 C LYS F 26 22.879 −23.833 −28.398 1.00129.94 MOL1 C ATOM 3479 O LYS F 26 22.459 −24.746 −29.111 1.00 130.92MOL1 O ATOM 3480 N LEU F 27 23.316 −24.026 −27.158 1.00 123.18 MOL1 NATOM 3481 CA LEU F 27 23.334 −25.345 −26.546 1.00 117.71 MOL1 C ATOM3482 CB LEU F 27 24.752 −25.718 −26.127 1.00 108.77 MOL1 C ATOM 3483 CGLEU F 27 24.900 −27.123 −25.551 1.00 102.45 MOL1 C ATOM 3484 CD1 LEU F27 24.569 −28.130 −26.638 1.00 99.22 MOL1 C ATOM 3485 CD2 LEU F 2726.310 −27.335 −25.032 1.00 95.52 MOL1 C ATOM 3486 C LEU F 27 22.444−25.344 −25.318 1.00 118.97 MOL1 C ATOM 3487 O LEU F 27 22.865 −24.923−24.246 1.00 119.24 MOL1 O ATOM 3488 N ASP F 28 21.215 −25.821 −25.4711.00 122.32 MOL1 N ATOM 3489 CA ASP F 28 20.278 −25.862 −24.358 1.00125.99 MOL1 C ATOM 3490 CB ASP F 28 18.937 −26.448 −24.807 1.00 129.38MOL1 C ATOM 3491 CG ASP F 28 18.465 −25.880 −26.135 1.00 135.42 MOL1 CATOM 3492 OD1 ASP F 28 18.844 −24.734 −26.458 1.00 137.40 MOL1 O ATOM3493 OD2 ASP F 28 17.707 −26.573 −26.852 1.00 136.01 MOL1 O ATOM 3494 CASP F 28 20.820 −26.689 −23.201 1.00 128.20 MOL1 C ATOM 3495 O ASP F 2821.489 −27.702 −23.401 1.00 127.44 MOL1 O ATOM 3496 N ILE F 29 20.532−26.238 −21.985 1.00 132.62 MOL1 N ATOM 3497 CA ILE F 29 20.962 −26.933−20.776 1.00 133.08 MOL1 C ATOM 3498 CB ILE F 29 20.752 −26.077 −19.5071.00 132.47 MOL1 C ATOM 3499 CG2 ILE F 29 21.747 −24.935 −19.472 1.00134.02 MOL1 C ATOM 3500 CG1 ILE F 29 19.305 −25.575 −19.461 1.00 131.56MOL1 C ATOM 3501 CD1 ILE F 29 19.011 −24.625 −18.323 1.00 131.84 MOL1 CATOM 3502 C ILE F 29 20.094 −28.163 −20.625 1.00 132.87 MOL1 C ATOM 3503O ILE F 29 19.048 −28.282 −21.271 1.00 132.86 MOL1 O ATOM 3504 N GLY F30 20.520 −29.071 −19.757 1.00 131.60 MOL1 N ATOM 3505 CA GLY F 3019.751 −30.278 −19.537 1.00 129.89 MOL1 C ATOM 3506 C GLY F 30 20.037−31.345 −20.571 1.00 126.50 MOL1 C ATOM 3507 O GLY F 30 19.802 −31.158−21.767 1.00 128.12 MOL1 O ATOM 3508 N ILE F 31 20.543 −32.475 −20.0981.00 121.94 MOL1 N ATOM 3509 CA ILE F 31 20.871 −33.590 −20.964 1.00117.12 MOL1 C ATOM 3510 CB ILE F 31 22.120 −34.327 −20.471 1.00 115.73MOL1 C ATOM 3511 CG2 ILE F 31 22.518 −35.373 −21.478 1.00 114.88 MOL1 CATOM 3512 CG1 ILE F 31 23.265 −33.339 −20.237 1.00 116.43 MOL1 C ATOM3513 CD1 ILE F 31 23.121 −32.490 −18.975 1.00 120.44 MOL1 C ATOM 3514 CILE F 31 19.720 −34.582 −20.981 1.00 116.73 MOL1 C ATOM 3515 O ILE F 3119.209 −34.967 −19.931 1.00 116.15 MOL1 O ATOM 3516 N ILE F 32 19.317−34.994 −22.176 1.00 118.68 MOL1 N ATOM 3517 CA ILE F 32 18.226 −35.949−22.329 1.00 123.20 MOL1 C ATOM 3518 CB ILE F 32 17.780 −36.044 −23.8051.00 123.36 MOL1 C ATOM 3519 CG2 ILE F 32 16.553 −36.940 −23.922 1.00122.71 MOL1 C ATOM 3520 CG1 ILE F 32 17.480 −34.644 −24.349 1.00 122.75MOL1 C ATOM 3521 CD1 ILE F 32 16.994 −34.637 −25.786 1.00 123.21 MOL1 CATOM 3522 C ILE F 32 18.640 −37.346 −21.856 1.00 127.61 MOL1 C ATOM 3523O ILE F 32 19.633 −37.899 −22.333 1.00 129.87 MOL1 O ATOM 3524 N ASN F33 17.875 −37.904 −20.917 1.00 132.09 MOL1 N ATOM 3525 CA ASN F 3318.128 −39.239 −20.362 1.00 136.09 MOL1 C ATOM 3526 CB ASN F 33 18.367−40.248 −21.490 1.00 137.26 MOL1 C ATOM 3527 CG ASN F 33 17.174 −40.378−22.422 1.00 141.15 MOL1 C ATOM 3528 OD1 ASN F 33 16.113 −40.861 −22.0251.00 144.19 MOL1 O ATOM 3529 ND2 ASN F 33 17.340 −39.940 −23.667 1.00141.99 MOL1 N ATOM 3530 C ASN F 33 19.297 −39.289 −19.379 1.00 139.95MOL1 C ATOM 3531 O ASN F 33 19.952 −40.319 −19.241 1.00 140.54 MOL1 OATOM 3532 N GLU F 34 19.550 −38.177 −18.694 1.00 145.31 MOL1 N ATOM 3533CA GLU F 34 20.638 −38.089 −17.720 1.00 150.17 MOL1 C ATOM 3534 CB GLU F34 20.604 −36.710 −17.049 1.00 152.50 MOL1 C ATOM 3535 CG GLU F 3421.625 −36.504 −15.937 1.00 155.37 MOL1 C ATOM 3536 CD GLU F 34 21.432−35.184 −15.207 1.00 155.48 MOL1 C ATOM 3537 OE1 GLU F 34 21.490 −34.124−15.868 1.00 155.20 MOL1 O ATOM 3538 OE2 GLU F 34 21.224 −35.208 −13.9721.00 153.96 MOL1 O ATOM 3539 C GLU F 34 20.514 −39.185 −16.659 1.00153.84 MOL1 C ATOM 3540 O GLU F 34 21.434 −39.414 −15.871 1.00 152.98MOL1 O ATOM 3541 N ASN F 35 19.368 −39.863 −16.660 1.00 159.41 MOL1 NATOM 3542 CA ASN F 35 19.062 −40.925 −15.702 1.00 165.02 MOL1 C ATOM3543 CB ASN F 35 17.544 −41.041 −15.518 1.00 167.52 MOL1 C ATOM 3544 CGASN F 35 16.895 −39.730 −15.128 1.00 169.43 MOL1 C ATOM 3545 OD1 ASN F35 17.154 −39.189 −14.052 1.00 171.02 MOL1 O ATOM 3546 ND2 ASN F 3516.041 −39.213 −16.006 1.00 168.39 MOL1 N ATOM 3547 C ASN F 35 19.592−42.311 −16.072 1.00 167.21 MOL1 C ATOM 3548 O ASN F 35 19.730 −43.169−15.200 1.00 168.76 MOL1 O ATOM 3549 N GLN F 36 19.853 −42.546 −17.3571.00 169.24 MOL1 N ATOM 3550 CA GLN F 36 20.358 −43.848 −17.798 1.00170.44 MOL1 C ATOM 3551 CB GLN F 36 20.719 −43.814 −19.287 1.00 170.00MOL1 C ATOM 3552 CG GLN F 36 19.540 −44.006 −20.228 1.00 166.49 MOL1 CATOM 3553 CD GLN F 36 18.973 −45.412 −20.175 1.00 164.75 MOL1 C ATOM3554 OE1 GLN F 36 18.015 −45.732 −20.878 1.00 163.00 MOL1 O ATOM 3555NE2 GLN F 36 19.565 −46.261 −19.340 1.00 165.04 MOL1 N ATOM 3556 C GLN F36 21.582 −44.240 −16.984 1.00 173.14 MOL1 C ATOM 3557 O GLN F 36 22.631−43.591 −17.069 1.00 171.50 MOL1 O ATOM 3558 N ARG F 37 21.443 −45.308−16.200 1.00 176.82 MOL1 N ATOM 3559 CA ARG F 37 22.527 −45.780 −15.3421.00 179.91 MOL1 C ATOM 3560 CB ARG F 37 21.968 −46.662 −14.213 1.00179.87 MOL1 C ATOM 3561 CG ARG F 37 20.898 −45.987 −13.352 1.00 177.94MOL1 C ATOM 3562 CD ARG F 37 20.879 −46.550 −11.938 1.00 175.90 MOL1 CATOM 3563 NE ARG F 37 22.089 −46.191 −11.204 1.00 175.74 MOL1 N ATOM3564 CZ ARG F 37 22.415 −44.947 −10.859 1.00 175.03 MOL1 C ATOM 3565 NH1ARG F 37 21.618 −43.936 −11.177 1.00 173.00 MOL1 N ATOM 3566 NH2 ARG F37 23.541 −44.714 −10.199 1.00 174.73 MOL1 N ATOM 3567 C ARG F 37 23.633−46.533 −16.079 1.00 180.73 MOL1 C ATOM 3568 O ARG F 37 23.379 −47.259−17.047 1.00 178.26 MOL1 O ATOM 3569 N VAL F 38 24.861 −46.337 −15.5971.00 182.74 MOL1 N ATOM 3570 CA VAL F 38 26.063 −46.966 −16.144 1.00183.52 MOL1 C ATOM 3571 CB VAL F 38 27.300 −46.666 −15.240 1.00 183.75MOL1 C ATOM 3572 CG1 VAL F 38 28.542 −47.351 −15.794 1.00 184.08 MOL1 CATOM 3573 CG2 VAL F 38 27.521 −45.161 −15.132 1.00 181.36 MOL1 C ATOM3574 C VAL F 38 25.878 −48.481 −16.224 1.00 183.05 MOL1 C ATOM 3575 OVAL F 38 26.288 −49.208 −15.313 1.00 182.81 MOL1 O ATOM 3576 N SER F 3925.265 −48.955 −17.307 1.00 180.94 MOL1 N ATOM 3577 CA SER F 39 25.036−50.387 −17.470 1.00 178.69 MOL1 C ATOM 3578 CB SER F 39 24.145 −50.659−18.685 1.00 178.07 MOL1 C ATOM 3579 OG SER F 39 23.836 −52.041 −18.7821.00 174.85 MOL1 O ATOM 3580 C SER F 39 26.357 −51.134 −17.619 1.00177.48 MOL1 C ATOM 3581 O SER F 39 26.859 −51.330 −18.728 1.00 176.69MOL1 O ATOM 3582 N MET F 40 26.912 −51.548 −16.483 1.00 175.26 MOL1 NATOM 3583 CA MET F 40 28.174 −52.271 −16.457 1.00 170.51 MOL1 C ATOM3584 CB MET F 40 29.294 −51.325 −16.004 1.00 173.33 MOL1 C ATOM 3585 CGMET F 40 30.706 −51.782 −16.345 1.00 175.64 MOL1 C ATOM 3586 SD MET F 4031.936 −50.475 −16.064 1.00 176.59 MOL1 S ATOM 3587 CE MET F 40 31.861−49.599 −17.635 1.00 173.87 MOL1 C ATOM 3588 C MET F 40 28.053 −53.455−15.499 1.00 165.12 MOL1 C ATOM 3589 O MET F 40 28.501 −53.381 −14.3541.00 163.85 MOL1 O ATOM 3590 N SER F 41 27.421 −54.532 −15.967 1.00158.82 MOL1 N ATOM 3591 CA SER F 41 27.256 −55.735 −15.153 1.00 152.76MOL1 C ATOM 3592 CB SER F 41 26.658 −56.879 −15.983 1.00 150.88 MOL1 CATOM 3593 OG SER F 41 25.380 −56.542 −16.494 1.00 146.30 MOL1 O ATOM3594 C SER F 41 28.652 −56.114 −14.680 1.00 149.80 MOL1 C ATOM 3595 OSER F 41 29.417 −56.745 −15.407 1.00 149.13 MOL1 O ATOM 3596 N ARG F 4228.977 −55.714 −13.458 1.00 145.39 MOL1 N ATOM 3597 CA ARG F 42 30.292−55.964 −12.890 1.00 139.25 MOL1 C ATOM 3598 CB ARG F 42 30.286 −55.570−11.410 1.00 141.33 MOL1 C ATOM 3599 CG ARG F 42 29.468 −54.316 −11.1261.00 144.63 MOL1 C ATOM 3600 CD ARG F 42 29.711 −53.788 −9.723 1.00150.26 MOL1 C ATOM 3601 NE ARG F 42 30.999 −53.107 −9.610 1.00 155.68MOL1 N ATOM 3602 CZ ARG F 42 31.301 −51.968 −10.229 1.00 156.48 MOL1 CATOM 3603 NH1 ARG F 42 30.404 −51.376 −11.009 1.00 157.71 MOL1 N ATOM3604 NH2 ARG F 42 32.498 −51.419 −10.068 1.00 154.00 MOL1 N ATOM 3605 CARG F 42 30.813 −57.392 −13.050 1.00 133.09 MOL1 C ATOM 3606 O ARG F 4230.045 −58.356 −13.162 1.00 131.03 MOL1 O ATOM 3607 N ASN F 43 32.139−57.496 −13.089 1.00 126.61 MOL1 N ATOM 3608 CA ASN F 43 32.849 −58.769−13.192 1.00 119.43 MOL1 C ATOM 3609 CB ASN F 43 32.486 −59.648 −11.9901.00 126.89 MOL1 C ATOM 3610 CG ASN F 43 32.751 −58.959 −10.661 1.00132.70 MOL1 C ATOM 3611 OD1 ASN F 43 32.121 −57.947 −10.334 1.00 134.91MOL1 O ATOM 3612 ND2 ASN F 43 33.690 −59.503 −9.887 1.00 135.04 MOL1 NATOM 3613 C ASN F 43 32.713 −59.604 −14.468 1.00 109.71 MOL1 C ATOM 3614O ASN F 43 33.448 −60.582 −14.636 1.00 105.52 MOL1 O ATOM 3615 N ILE F44 31.794 −59.256 −15.365 1.00 98.14 MOL1 N ATOM 3616 CA ILE F 44 31.674−60.060 −16.577 1.00 85.42 MOL1 C ATOM 3617 CB ILE F 44 30.413 −59.714−17.403 1.00 80.25 MOL1 C ATOM 3618 CG2 ILE F 44 29.295 −59.277 −16.4701.00 87.58 MOL1 C ATOM 3619 CG1 ILE F 44 30.710 −58.630 −18.427 1.0069.53 MOL1 C ATOM 3620 CD1 ILE F 44 29.600 −58.492 −19.430 1.00 52.02MOL1 C ATOM 3621 C ILE F 44 32.921 −59.860 −17.416 1.00 79.76 MOL1 CATOM 3622 O ILE F 44 33.205 −60.630 −18.328 1.00 74.80 MOL1 O ATOM 3623N GLU F 45 33.672 −58.817 −17.089 1.00 76.85 MOL1 N ATOM 3624 CA GLU F45 34.911 −58.545 −17.784 1.00 75.75 MOL1 C ATOM 3625 CB GLU F 45 35.521−57.218 −17.323 1.00 77.64 MOL1 C ATOM 3626 CG GLU F 45 35.481 −56.970−15.822 1.00 79.53 MOL1 C ATOM 3627 CD GLU F 45 34.225 −56.216 −15.3921.00 86.18 MOL1 C ATOM 3628 OE1 GLU F 45 34.088 −55.899 −14.186 1.0083.20 MOL1 O ATOM 3629 OE2 GLU F 45 33.373 −55.935 −16.268 1.00 88.06MOL1 O ATOM 3630 C GLU F 45 35.866 −59.674 −17.454 1.00 76.46 MOL1 CATOM 3631 O GLU F 45 36.896 −59.834 −18.098 1.00 78.53 MOL1 O ATOM 3632N SER F 46 35.515 −60.467 −16.448 1.00 78.34 MOL1 N ATOM 3633 CA SER F46 36.370 −61.572 −16.038 1.00 78.87 MOL1 C ATOM 3634 CB SER F 46 36.734−61.432 −14.561 1.00 85.43 MOL1 C ATOM 3635 OG SER F 46 37.743 −62.365−14.209 1.00 97.78 MOL1 O ATOM 3636 C SER F 46 35.733 −62.932 −16.2721.00 73.11 MOL1 C ATOM 3637 O SER F 46 36.406 −63.957 −16.206 1.00 72.67MOL1 O ATOM 3638 N ARG F 47 34.433 −62.931 −16.537 1.00 69.60 MOL1 NATOM 3639 CA ARG F 47 33.690 −64.162 −16.795 1.00 66.40 MOL1 C ATOM 3640CB ARG F 47 32.225 −64.007 −16.371 1.00 71.81 MOL1 C ATOM 3641 CG ARG F47 31.872 −64.348 −14.933 1.00 71.12 MOL1 C ATOM 3642 CD ARG F 47 30.491−63.785 −14.607 1.00 70.56 MOL1 C ATOM 3643 NE ARG F 47 29.442 −64.226−15.532 1.00 66.40 MOL1 N ATOM 3644 CZ ARG F 47 28.313 −63.551 −15.7541.00 71.40 MOL1 C ATOM 3645 NH1 ARG F 47 28.080 −62.397 −15.128 1.0069.35 MOL1 N ATOM 3646 NH2 ARG F 47 27.406 −64.028 −16.594 1.00 71.10MOL1 N ATOM 3647 C ARG F 47 33.703 −64.511 −18.278 1.00 62.46 MOL1 CATOM 3648 O ARG F 47 33.271 −65.587 −18.662 1.00 59.75 MOL1 O ATOM 3649N SER F 48 34.174 −63.594 −19.114 1.00 62.70 MOL1 N ATOM 3650 CA SER F48 34.206 −63.839 −20.555 1.00 60.28 MOL1 C ATOM 3651 CB SER F 48 34.254−62.517 −21.324 1.00 63.61 MOL1 C ATOM 3652 OG SER F 48 34.348 −62.744−22.724 1.00 61.71 MOL1 O ATOM 3653 C SER F 48 35.374 −64.705 −20.9971.00 57.89 MOL1 C ATOM 3654 O SER F 48 36.443 −64.684 −20.393 1.00 60.33MOL1 O ATOM 3655 N THR F 49 35.161 −65.466 −22.063 1.00 54.42 MOL1 NATOM 3656 CA THR F 49 36.199 −66.328 −22.602 1.00 54.49 MOL1 C ATOM 3657CB THR F 49 35.648 −67.251 −23.713 1.00 54.48 MOL1 C ATOM 3658 OG1 THR F49 35.141 −66.472 −24.805 1.00 56.11 MOL1 O ATOM 3659 CG2 THR F 4934.542 −68.106 −23.165 1.00 56.64 MOL1 C ATOM 3660 C THR F 49 37.314−65.462 −23.177 1.00 56.33 MOL1 C ATOM 3661 O THR F 49 38.375 −65.957−23.549 1.00 61.42 MOL1 O ATOM 3662 N SER F 50 37.055 −64.162 −23.2461.00 54.40 MOL1 N ATOM 3663 CA SER F 50 38.005 −63.187 −23.757 1.0047.36 MOL1 C ATOM 3664 CB SER F 50 37.578 −62.740 −25.154 1.00 46.06MOL1 C ATOM 3665 OG SER F 50 36.163 −62.674 −25.266 1.00 42.87 MOL1 OATOM 3666 C SER F 50 37.962 −62.028 −22.777 1.00 48.51 MOL1 C ATOM 3667O SER F 50 37.405 −60.978 −23.056 1.00 49.58 MOL1 O ATOM 3668 N PRO F 5138.544 −62.229 −21.594 1.00 50.16 MOL1 N ATOM 3669 CD PRO F 51 39.284−63.474 −21.372 1.00 45.51 MOL1 C ATOM 3670 CA PRO F 51 38.675 −61.335−20.435 1.00 50.86 MOL1 C ATOM 3671 CB PRO F 51 39.525 −62.151 −19.4761.00 50.48 MOL1 C ATOM 3672 CG PRO F 51 39.255 −63.563 −19.899 1.0053.81 MOL1 C ATOM 3673 C PRO F 51 39.339 −60.004 −20.780 1.00 51.50 MOL1C ATOM 3674 O PRO F 51 40.097 −59.920 −21.738 1.00 54.86 MOL1 O ATOM3675 N TRP F 52 39.087 −58.978 −19.978 1.00 47.99 MOL1 N ATOM 3676 CATRP F 52 39.646 −57.673 −20.254 1.00 46.10 MOL1 C ATOM 3677 CB TRP F 5238.815 −57.031 −21.366 1.00 46.29 MOL1 C ATOM 3678 CG TRP F 52 37.361−56.685 −21.016 1.00 45.96 MOL1 C ATOM 3679 CD2 TRP F 52 36.166 −57.345−21.485 1.00 42.76 MOL1 C ATOM 3680 CE2 TRP F 52 35.061 −56.624 −20.9801.00 39.10 MOL1 C ATOM 3681 CE3 TRP F 52 35.924 −58.471 −22.281 1.0046.96 MOL1 C ATOM 3682 CD1 TRP F 52 36.930 −55.626 −20.264 1.00 42.72MOL1 C ATOM 3683 NE1 TRP F 52 35.555 −55.580 −20.245 1.00 37.06 MOL1 NATOM 3684 CZ2 TRP F 52 33.731 −56.996 −21.243 1.00 40.09 MOL1 C ATOM3685 CZ3 TRP F 52 34.581 −58.840 −22.545 1.00 44.34 MOL1 C ATOM 3686 CH2TRP F 52 33.514 −58.103 −22.024 1.00 34.21 MOL1 C ATOM 3687 C TRP F 5239.664 −56.789 −19.018 1.00 51.45 MOL1 C ATOM 3688 O TRP F 52 38.757−56.873 −18.198 1.00 59.40 MOL1 O ATOM 3689 N ASN F 53 40.686 −55.949−18.865 1.00 55.05 MOL1 N ATOM 3690 CA ASN F 53 40.752 −55.066 −17.6941.00 56.31 MOL1 C ATOM 3691 CB ASN F 53 42.187 −54.834 −17.234 1.0068.05 MOL1 C ATOM 3692 CG ASN F 53 42.996 −56.104 −17.177 1.00 79.60MOL1 C ATOM 3693 OD1 ASN F 53 44.233 −56.063 −17.167 1.00 89.95 MOL1 OATOM 3694 ND2 ASN F 53 42.314 −57.242 −17.134 1.00 83.06 MOL1 N ATOM3695 C ASN F 53 40.164 −53.729 −18.077 1.00 55.76 MOL1 C ATOM 3696 O ASNF 53 39.946 −53.450 −19.257 1.00 56.63 MOL1 O ATOM 3697 N TYR F 5439.903 −52.907 −17.072 1.00 55.17 MOL1 N ATOM 3698 CA TYR F 54 39.351−51.581 −17.291 1.00 59.25 MOL1 C ATOM 3699 CB TYR F 54 38.046 −51.413−16.515 1.00 61.17 MOL1 C ATOM 3700 CG TYR F 54 36.839 −52.002 −17.2101.00 65.10 MOL1 C ATOM 3701 CD1 TYR F 54 35.766 −52.515 −16.483 1.0067.34 MOL1 C ATOM 3702 CE1 TYR F 54 34.649 −53.049 −17.125 1.00 68.18MOL1 C ATOM 3703 CD2 TYR F 54 36.764 −52.035 −18.590 1.00 68.03 MOL1 CATOM 3704 CE2 TYR F 54 35.654 −52.564 −19.239 1.00 72.89 MOL1 C ATOM3705 CZ TYR F 54 34.601 −53.071 −18.507 1.00 68.10 MOL1 C ATOM 3706 OHTYR F 54 33.513 −53.596 −19.173 1.00 62.91 MOL1 O ATOM 3707 C TYR F 5440.386 −50.582 −16.812 1.00 64.47 MOL1 C ATOM 3708 O TYR F 54 41.284−50.928 −16.046 1.00 72.28 MOL1 O ATOM 3709 N THR F 55 40.268 −49.346−17.269 1.00 67.47 MOL1 N ATOM 3710 CA THR F 55 41.212 −48.304 −16.8971.00 70.95 MOL1 C ATOM 3711 CB THR F 55 42.319 −48.181 −17.946 1.0076.93 MOL1 C ATOM 3712 OG1 THR F 55 42.509 −49.447 −18.591 1.00 81.50MOL1 O ATOM 3713 CG2 THR F 55 43.618 −47.754 −17.291 1.00 85.52 MOL1 CATOM 3714 C THR F 55 40.409 −47.033 −16.931 1.00 69.92 MOL1 C ATOM 3715O THR F 55 39.929 −46.649 −17.996 1.00 73.31 MOL1 O ATOM 3716 N VAL F 5640.256 −46.370 −15.794 1.00 67.42 MOL1 N ATOM 3717 CA VAL F 56 39.453−45.160 −15.799 1.00 71.36 MOL1 C ATOM 3718 CB VAL F 56 38.452 −45.142−14.632 1.00 73.26 MOL1 C ATOM 3719 CG1 VAL F 56 37.261 −44.256 −14.9911.00 73.49 MOL1 C ATOM 3720 CG2 VAL F 56 38.005 −46.558 −14.303 1.0076.29 MOL1 C ATOM 3721 C VAL F 56 40.269 −43.888 −15.750 1.00 71.95 MOL1C ATOM 3722 O VAL F 56 41.329 −43.832 −15.135 1.00 78.43 MOL1 O ATOM3723 N THR F 57 39.760 −42.863 −16.409 1.00 69.02 MOL1 N ATOM 3724 CATHR F 57 40.433 −41.587 −16.437 1.00 72.75 MOL1 C ATOM 3725 CB THR F 5740.886 −41.263 −17.872 1.00 78.64 MOL1 C ATOM 3726 OG1 THR F 57 39.783−40.762 −18.640 1.00 77.06 MOL1 O ATOM 3727 CG2 THR F 57 41.392 −42.536−18.539 1.00 79.68 MOL1 C ATOM 3728 C THR F 57 39.395 −40.585 −15.9771.00 72.29 MOL1 C ATOM 3729 O THR F 57 38.227 −40.685 −16.358 1.00 71.48MOL1 O ATOM 3730 N TRP F 58 39.797 −39.632 −15.147 1.00 68.75 MOL1 NATOM 3731 CA TRP F 58 38.842 −38.646 −14.685 1.00 67.42 MOL1 C ATOM 3732CB TRP F 58 38.601 −38.810 −13.178 1.00 76.07 MOL1 C ATOM 3733 CG TRP F58 37.579 −37.852 −12.651 1.00 87.01 MOL1 C ATOM 3734 CD2 TRP F 5837.832 −36.661 −11.892 1.00 92.81 MOL1 C ATOM 3735 CE2 TRP F 58 36.597−35.995 −11.735 1.00 94.18 MOL1 C ATOM 3736 CE3 TRP F 58 38.984 −36.090−11.334 1.00 90.84 MOL1 C ATOM 3737 CD1 TRP F 58 36.236 −37.866 −12.9031.00 86.10 MOL1 C ATOM 3738 NE1 TRP F 58 35.640 −36.751 −12.360 1.0092.26 MOL1 N ATOM 3739 CZ2 TRP F 58 36.482 −34.788 −11.048 1.00 95.08MOL1 C ATOM 3740 CZ3 TRP F 58 38.867 −34.894 −10.654 1.00 91.61 MOL1 CATOM 3741 CH2 TRP F 58 37.626 −34.254 −10.517 1.00 95.27 MOL1 C ATOM3742 C TRP F 58 39.304 −37.233 −15.006 1.00 62.54 MOL1 C ATOM 3743 O TRPF 58 40.418 −36.851 −14.682 1.00 66.07 MOL1 O ATOM 3744 N ASP F 5938.447 −36.468 −15.666 1.00 62.09 MOL1 N ATOM 3745 CA ASP F 59 38.758−35.088 −16.018 1.00 68.68 MOL1 C ATOM 3746 CB ASP F 59 38.986 −34.921−17.517 1.00 71.70 MOL1 C ATOM 3747 CG ASP F 59 39.302 −33.480 −17.8961.00 73.25 MOL1 C ATOM 3748 OD1 ASP F 59 38.726 −32.549 −17.286 1.0064.92 MOL1 O ATOM 3749 OD2 ASP F 59 40.125 −33.281 −18.815 1.00 80.05MOL1 O ATOM 3750 C ASP F 59 37.580 −34.221 −15.648 1.00 74.69 MOL1 CATOM 3751 O ASP F 59 36.504 −34.332 −16.247 1.00 74.80 MOL1 O ATOM 3752N PRO F 60 37.768 −33.335 −14.664 1.00 78.98 MOL1 N ATOM 3753 CD PRO F60 38.998 −33.204 −13.869 1.00 79.46 MOL1 C ATOM 3754 CA PRO F 60 36.738−32.415 −14.178 1.00 80.65 MOL1 C ATOM 3755 CB PRO F 60 37.440 −31.694−13.026 1.00 80.21 MOL1 C ATOM 3756 CG PRO F 60 38.886 −31.799 −13.3811.00 80.21 MOL1 C ATOM 3757 C PRO F 60 36.164 −31.457 −15.233 1.00 81.09MOL1 C ATOM 3758 O PRO F 60 35.046 −30.951 −15.067 1.00 83.18 MOL1 OATOM 3759 N ASN F 61 36.912 −31.217 −16.309 1.00 76.42 MOL1 N ATOM 3760CA ASN F 61 36.438 −30.336 −17.372 1.00 78.59 MOL1 C ATOM 3761 CB ASN F61 37.543 −29.386 −17.828 1.00 90.58 MOL1 C ATOM 3762 CG ASN F 61 37.940−28.403 −16.750 1.00 103.85 MOL1 C ATOM 3763 OD1 ASN F 61 37.083 −27.799−16.097 1.00 106.74 MOL1 O ATOM 3764 ND2 ASN F 61 39.246 −28.226 −16.5591.00 111.58 MOL1 N ATOM 3765 C ASN F 61 35.966 −31.145 −18.558 1.0074.54 MOL1 C ATOM 3766 O ASN F 61 36.094 −30.719 −19.705 1.00 73.22 MOL1O ATOM 3767 N ARG F 62 35.410 −32.313 −18.275 1.00 72.69 MOL1 N ATOM3768 CA ARG F 62 34.933 −33.189 −19.328 1.00 72.28 MOL1 C ATOM 3769 CBARG F 62 36.011 −34.227 −19.647 1.00 71.86 MOL1 C ATOM 3770 CG ARG F 6235.657 −35.181 −20.775 1.00 73.66 MOL1 C ATOM 3771 CD ARG F 62 36.784−36.174 −21.045 1.00 70.50 MOL1 C ATOM 3772 NE ARG F 62 37.021 −37.058−19.909 1.00 63.47 MOL1 N ATOM 3773 CZ ARG F 62 37.876 −38.076 −19.9221.00 62.97 MOL1 C ATOM 3774 NH1 ARG F 62 38.580 −38.337 −21.017 1.0067.00 MOL1 N ATOM 3775 NH2 ARG F 62 38.017 −38.843 −18.849 1.00 58.63MOL1 N ATOM 3776 C ARG F 62 33.653 −33.897 −18.917 1.00 72.52 MOL1 CATOM 3777 O ARG F 62 33.569 −34.453 −17.820 1.00 74.93 MOL1 O ATOM 3778N TYR F 63 32.648 −33.868 −19.785 1.00 68.99 MOL1 N ATOM 3779 CA TYR F63 31.416 −34.567 −19.477 1.00 66.19 MOL1 C ATOM 3780 CB TYR F 63 30.227−33.630 −19.378 1.00 74.78 MOL1 C ATOM 3781 CG TYR F 63 28.946 −34.400−19.155 1.00 81.35 MOL1 C ATOM 3782 CD1 TYR F 63 27.948 −34.430 −20.1171.00 83.49 MOL1 C ATOM 3783 CE1 TYR F 63 26.796 −35.179 −19.930 1.0088.75 MOL1 C ATOM 3784 CD2 TYR F 63 28.759 −35.137 −17.994 1.00 87.18MOL1 C ATOM 3785 CE2 TYR F 63 27.614 −35.889 −17.795 1.00 92.81 MOL1 CATOM 3786 CZ TYR F 63 26.636 −35.908 −18.766 1.00 92.83 MOL1 C ATOM 3787OH TYR F 63 25.506 −36.673 −18.569 1.00 96.03 MOL1 O ATOM 3788 C TYR F63 31.130 −35.575 −20.552 1.00 63.85 MOL1 C ATOM 3789 O TYR F 63 31.003−35.223 −21.725 1.00 67.96 MOL1 O ATOM 3790 N PRO F 64 31.055 −36.853−20.171 1.00 58.19 MOL1 N ATOM 3791 CD PRO F 64 30.733 −37.996 −21.0391.00 62.74 MOL1 C ATOM 3792 CA PRO F 64 31.237 −37.303 −18.798 1.0057.91 MOL1 C ATOM 3793 CB PRO F 64 30.807 −38.758 −18.859 1.00 66.16MOL1 C ATOM 3794 CG PRO F 64 31.243 −39.160 −20.219 1.00 63.83 MOL1 CATOM 3795 C PRO F 64 32.668 −37.167 −18.319 1.00 60.20 MOL1 C ATOM 3796O PRO F 64 33.603 −37.219 −19.107 1.00 55.01 MOL1 O ATOM 3797 N SER F 6532.817 −37.015 −17.008 1.00 66.64 MOL1 N ATOM 3798 CA SER F 65 34.111−36.862 −16.349 1.00 66.34 MOL1 C ATOM 3799 CB SER F 65 33.875 −36.451−14.907 1.00 75.37 MOL1 C ATOM 3800 OG SER F 65 32.951 −37.347 −14.2961.00 92.37 MOL1 O ATOM 3801 C SER F 65 34.950 −38.137 −16.375 1.00 63.39MOL1 C ATOM 3802 O SER F 65 36.153 −38.086 −16.623 1.00 65.34 MOL1 OATOM 3803 N GLU F 66 34.324 −39.276 −16.090 1.00 58.70 MOL1 N ATOM 3804CA GLU F 66 35.033 −40.551 −16.106 1.00 60.70 MOL1 C ATOM 3805 CB GLU F66 34.458 −41.543 −15.073 1.00 69.86 MOL1 C ATOM 3806 CG GLU F 66 34.838−41.313 −13.593 1.00 97.36 MOL1 C ATOM 3807 CD GLU F 66 33.864 −40.401−12.812 1.00 111.30 MOL1 C ATOM 3808 OE1 GLU F 66 34.168 −40.083 −11.6351.00 113.19 MOL1 O ATOM 3809 OE2 GLU F 66 32.802 −40.008 −13.357 1.00118.22 MOL1 O ATOM 3810 C GLU F 66 34.898 −41.177 −17.486 1.00 61.75MOL1 C ATOM 3811 O GLU F 66 33.811 −41.182 −18.070 1.00 65.70 MOL1 OATOM 3812 N VAL F 67 36.005 −41.684 −18.020 1.00 59.43 MOL1 N ATOM 3813CA VAL F 67 35.980 −42.357 −19.313 1.00 54.35 MOL1 C ATOM 3814 CB VAL F67 36.684 −41.569 −20.407 1.00 47.87 MOL1 C ATOM 3815 CG1 VAL F 6736.666 −42.369 −21.679 1.00 45.44 MOL1 C ATOM 3816 CG2 VAL F 67 35.985−40.265 −20.640 1.00 49.36 MOL1 C ATOM 3817 C VAL F 67 36.725 −43.654−19.122 1.00 56.91 MOL1 C ATOM 3818 O VAL F 67 37.925 −43.648 −18.8481.00 59.77 MOL1 O ATOM 3819 N VAL F 68 36.010 −44.762 −19.266 1.00 54.74MOL1 N ATOM 3820 CA VAL F 68 36.603 −46.067 −19.074 1.00 53.09 MOL1 CATOM 3821 CB VAL F 68 35.673 −46.929 −18.297 1.00 55.87 MOL1 C ATOM 3822CG1 VAL F 68 36.351 −48.230 −17.923 1.00 58.77 MOL1 C ATOM 3823 CG2 VALF 68 35.217 −46.170 −17.103 1.00 65.85 MOL1 C ATOM 3824 C VAL F 6836.941 −46.794 −20.358 1.00 54.55 MOL1 C ATOM 3825 O VAL F 68 36.078−46.982 −21.232 1.00 52.08 MOL1 O ATOM 3826 N GLN F 69 38.199 −47.227−20.438 1.00 51.16 MOL1 N ATOM 3827 CA GLN F 69 38.722 −47.943 −21.5901.00 49.53 MOL1 C ATOM 3828 CB GLN F 69 39.974 −47.243 −22.097 1.0050.63 MOL1 C ATOM 3829 CG GLN F 69 39.772 −45.810 −22.539 1.00 45.74MOL1 C ATOM 3830 CD GLN F 69 39.337 −45.726 −23.977 1.00 48.55 MOL1 CATOM 3831 OE1 GLN F 69 39.230 −46.743 −24.672 1.00 52.21 MOL1 O ATOM3832 NE2 GLN F 69 39.092 −44.512 −24.441 1.00 40.51 MOL1 N ATOM 3833 CGLN F 69 39.081 −49.352 −21.170 1.00 50.82 MOL1 C ATOM 3834 O GLN F 6939.650 −49.548 −20.096 1.00 51.37 MOL1 O ATOM 3835 N ALA F 70 38.758−50.321 −22.024 1.00 52.64 MOL1 N ATOM 3836 CA ALA F 70 39.037 −51.736−21.767 1.00 57.49 MOL1 C ATOM 3837 CB ALA F 70 37.879 −52.577 −22.2661.00 55.06 MOL1 C ATOM 3838 C ALA F 70 40.321 −52.181 −22.460 1.00 57.95MOL1 C ATOM 3839 O ALA F 70 40.815 −51.489 −23.341 1.00 66.12 MOL1 OATOM 3840 N GLN F 71 40.850 −53.339 −22.077 1.00 55.45 MOL1 N ATOM 3841CA GLN F 71 42.067 −53.859 −22.690 1.00 51.57 MOL1 C ATOM 3842 CB GLN F71 43.286 −53.410 −21.893 1.00 57.65 MOL1 C ATOM 3843 CG GLN F 71 43.255−51.991 −21.378 1.00 73.00 MOL1 C ATOM 3844 CD GLN F 71 44.614 −51.574−20.838 1.00 89.88 MOL1 C ATOM 3845 OE1 GLN F 71 45.539 −51.263 −21.6031.00 87.49 MOL1 O ATOM 3846 NE2 GLN F 71 44.751 −51.590 −19.512 1.0098.59 MOL1 N ATOM 3847 C GLN F 71 42.030 −55.376 −22.649 1.00 45.36 MOL1C ATOM 3848 O GLN F 71 42.037 −55.923 −21.563 1.00 49.02 MOL1 O ATOM3849 N CYS F 72 42.007 −56.067 −23.787 1.00 40.81 MOL1 N ATOM 3850 CACYS F 72 41.987 −57.536 −23.735 1.00 46.47 MOL1 C ATOM 3851 C CYS F 7243.147 −58.100 −22.906 1.00 50.35 MOL1 C ATOM 3852 O CYS F 72 44.312−57.779 −23.134 1.00 49.99 MOL1 O ATOM 3853 CB CYS F 72 42.036 −58.167−25.130 1.00 49.20 MOL1 C ATOM 3854 SG CYS F 72 40.821 −57.505 −26.3091.00 63.66 MOL1 S ATOM 3855 N ARG F 73 42.808 −58.960 −21.951 1.00 58.42MOL1 N ATOM 3856 CA ARG F 73 43.772 −59.571 −21.043 1.00 60.73 MOL1 CATOM 3857 CB ARG F 73 43.019 −60.283 −19.910 1.00 66.85 MOL1 C ATOM 3858CG ARG F 73 43.140 −59.651 −18.519 1.00 75.53 MOL1 C ATOM 3859 CD ARG F73 42.787 −60.677 −17.422 1.00 86.65 MOL1 C ATOM 3860 NE ARG F 73 43.657−61.858 −17.489 1.00 99.91 MOL1 N ATOM 3861 CZ ARG F 73 43.302 −63.086−17.111 1.00 102.54 MOL1 C ATOM 3862 NH1 ARG F 73 42.085 −63.302 −16.6311.00 103.80 MOL1 N ATOM 3863 NH2 ARG F 73 44.153 −64.103 −17.235 1.0099.72 MOL1 N ATOM 3864 C ARG F 73 44.750 −60.554 −21.685 1.00 61.26 MOL1C ATOM 3865 O ARG F 73 45.881 −60.682 −21.226 1.00 62.79 MOL1 O ATOM3866 N ASN F 74 44.325 −61.251 −22.732 1.00 60.98 MOL1 N ATOM 3867 CAASN F 74 45.201 −62.223 −23.374 1.00 64.24 MOL1 C ATOM 3868 CB ASN F 7444.846 −63.619 −22.878 1.00 75.85 MOL1 C ATOM 3869 CG ASN F 74 45.008−63.752 −21.367 1.00 86.27 MOL1 C ATOM 3870 OD1 ASN F 74 44.398 −64.618−20.733 1.00 96.59 MOL1 O ATOM 3871 ND2 ASN F 74 45.845 −62.900 −20.7861.00 87.18 MOL1 N ATOM 3872 C ASN F 74 45.093 −62.147 −24.882 1.00 61.52MOL1 C ATOM 3873 O ASN F 74 44.317 −61.362 −25.396 1.00 65.30 MOL1 OATOM 3874 N LEU F 75 45.880 −62.940 −25.596 1.00 59.68 MOL1 N ATOM 3875CA LEU F 75 45.820 −62.906 −27.049 1.00 57.37 MOL1 C ATOM 3876 CB LEU F75 47.182 −63.191 −27.668 1.00 53.74 MOL1 C ATOM 3877 CG LEU F 75 48.268−62.124 −27.616 1.00 53.32 MOL1 C ATOM 3878 CD1 LEU F 75 49.181 −62.346−28.811 1.00 45.91 MOL1 C ATOM 3879 CD2 LEU F 75 47.671 −60.728 −27.6651.00 48.65 MOL1 C ATOM 3880 C LEU F 75 44.831 −63.920 −27.570 1.00 62.93MOL1 C ATOM 3881 O LEU F 75 44.110 −63.657 −28.525 1.00 64.55 MOL1 OATOM 3882 N GLY F 76 44.816 −65.096 −26.956 1.00 71.53 MOL1 N ATOM 3883CA GLY F 76 43.887 −66.131 −27.379 1.00 78.22 MOL1 C ATOM 3884 C GLY F76 42.646 −66.040 −26.519 1.00 82.80 MOL1 C ATOM 3885 O GLY F 76 42.425−65.013 −25.862 1.00 85.29 MOL1 O ATOM 3886 N CYS F 77 41.836 −67.095−26.517 1.00 81.74 MOL1 N ATOM 3887 CA CYS F 77 40.624 −67.120 −25.7071.00 84.88 MOL1 C ATOM 3888 C CYS F 77 40.850 −68.125 −24.597 1.00 85.30MOL1 C ATOM 3889 O CYS F 77 41.829 −68.859 −24.622 1.00 90.02 MOL1 OATOM 3890 CB CYS F 77 39.437 −67.525 −26.568 1.00 84.73 MOL1 C ATOM 3891SG CYS F 77 39.328 −66.515 −28.080 1.00 95.89 MOL1 S ATOM 3892 N ILE F78 39.944 −68.165 −23.634 1.00 87.14 MOL1 N ATOM 3893 CA ILE F 78 40.065−69.061 −22.500 1.00 95.81 MOL1 C ATOM 3894 CB ILE F 78 39.979 −68.213−21.219 1.00 94.33 MOL1 C ATOM 3895 CG2 ILE F 78 39.306 −68.996 −20.1071.00 97.42 MOL1 C ATOM 3896 CG1 ILE F 78 41.372 −67.662 −20.891 1.0094.21 MOL1 C ATOM 3897 CD1 ILE F 78 41.471 −66.931 −19.555 1.00 94.35MOL1 C ATOM 3898 C ILE F 78 39.002 −70.175 −22.483 1.00 103.80 MOL1 CATOM 3899 O ILE F 78 37.848 −69.926 −22.812 1.00 106.45 MOL1 O ATOM 3900N ASN F 79 39.395 −71.394 −22.106 1.00 112.68 MOL1 N ATOM 3901 CA ASN F79 38.471 −72.535 −22.043 1.00 122.59 MOL1 C ATOM 3902 CB ASN F 7939.182 −73.837 −22.434 1.00 129.08 MOL1 C ATOM 3903 CG ASN F 79 39.563−73.893 −23.900 1.00 139.42 MOL1 C ATOM 3904 OD1 ASN F 79 38.707 −73.800−24.788 1.00 144.42 MOL1 O ATOM 3905 ND2 ASN F 79 40.857 −74.059 −24.1651.00 143.29 MOL1 N ATOM 3906 C ASN F 79 37.907 −72.729 −20.637 1.00126.34 MOL1 C ATOM 3907 O ASN F 79 37.789 −71.778 −19.861 1.00 124.78MOL1 O ATOM 3908 N ALA F 80 37.566 −73.981 −20.326 1.00 130.91 MOL1 NATOM 3909 CA ALA F 80 37.036 −74.346 −19.014 1.00 133.29 MOL1 C ATOM3910 CB ALA F 80 36.611 −75.812 −19.003 1.00 131.58 MOL1 C ATOM 3911 CALA F 80 38.132 −74.114 −17.987 1.00 135.12 MOL1 C ATOM 3912 O ALA F 8038.652 −75.064 −17.396 1.00 132.96 MOL1 O ATOM 3913 N GLN F 81 38.484−72.844 −17.796 1.00 139.60 MOL1 N ATOM 3914 CA GLN F 81 39.526 −72.455−16.852 1.00 142.21 MOL1 C ATOM 3915 CB GLN F 81 39.186 −73.013 −15.4631.00 144.86 MOL1 C ATOM 3916 CG GLN F 81 40.143 −72.625 −14.348 1.00147.70 MOL1 C ATOM 3917 CD GLN F 81 39.934 −73.457 −13.094 1.00 151.40MOL1 C ATOM 3918 OE1 GLN F 81 40.540 −73.195 −12.054 1.00 154.30 MOL1 OATOM 3919 NE2 GLN F 81 39.077 −74.470 −13.190 1.00 150.41 MOL1 N ATOM3920 C GLN F 81 40.860 −73.028 −17.330 1.00 140.95 MOL1 C ATOM 3921 OGLN F 81 41.834 −73.066 −16.579 1.00 143.16 MOL1 O ATOM 3922 N GLY F 8240.899 −73.459 −18.589 1.00 137.86 MOL1 N ATOM 3923 CA GLY F 82 42.101−74.066 −19.130 1.00 132.06 MOL1 C ATOM 3924 C GLY F 82 43.000 −73.207−19.990 1.00 126.42 MOL1 C ATOM 3925 O GLY F 82 43.433 −73.635 −21.0551.00 124.30 MOL1 O ATOM 3926 N LYS F 83 43.282 −71.997 −19.527 1.00123.62 MOL1 N ATOM 3927 CA LYS F 83 44.169 −71.077 −20.237 1.00 121.91MOL1 C ATOM 3928 CB LYS F 83 45.638 −71.440 −19.938 1.00 128.60 MOL1 CATOM 3929 CG LYS F 83 46.659 −70.323 −20.198 1.00 130.49 MOL1 C ATOM3930 CD LYS F 83 48.091 −70.760 −19.873 1.00 133.53 MOL1 C ATOM 3931 CELYS F 83 48.585 −71.854 −20.823 1.00 134.47 MOL1 C ATOM 3932 NZ LYS F 8350.000 −72.257 −20.552 1.00 131.10 MOL1 N ATOM 3933 C LYS F 83 43.965−70.982 −21.756 1.00 115.06 MOL1 C ATOM 3934 O LYS F 83 43.163 −71.708−22.353 1.00 110.32 MOL1 O ATOM 3935 N GLU F 84 44.729 −70.073 −22.3581.00 109.95 MOL1 N ATOM 3936 CA GLU F 84 44.687 −69.776 −23.786 1.00102.67 MOL1 C ATOM 3937 CB GLU F 84 45.936 −68.982 −24.206 1.00 106.26MOL1 C ATOM 3938 CG GLU F 84 45.882 −67.490 −23.901 1.00 110.45 MOL1 CATOM 3939 CD GLU F 84 47.099 −66.735 −24.414 1.00 114.20 MOL1 C ATOM3940 OE1 GLU F 84 47.116 −65.489 −24.292 1.00 116.18 MOL1 O ATOM 3941OE2 GLU F 84 48.037 −67.383 −24.935 1.00 116.06 MOL1 O ATOM 3942 C GLU F84 44.511 −70.921 −24.758 1.00 93.83 MOL1 C ATOM 3943 O GLU F 84 44.848−72.067 −24.482 1.00 91.06 MOL1 O ATOM 3944 N ASP F 85 43.956 −70.567−25.909 1.00 87.09 MOL1 N ATOM 3945 CA ASP F 85 43.753 −71.489 −27.0071.00 84.02 MOL1 C ATOM 3946 CB ASP F 85 42.350 −72.054 −27.032 1.0079.98 MOL1 C ATOM 3947 CG ASP F 85 42.134 −72.933 −28.234 1.00 81.68MOL1 C ATOM 3948 OD1 ASP F 85 42.464 −74.132 −28.154 1.00 92.83 MOL1 OATOM 3949 OD2 ASP F 85 41.674 −72.420 −29.272 1.00 73.58 MOL1 O ATOM3950 C ASP F 85 43.964 −70.688 −28.283 1.00 80.46 MOL1 C ATOM 3951 O ASPF 85 43.022 −70.425 −29.023 1.00 83.23 MOL1 O ATOM 3952 N ILE F 8645.210 −70.305 −28.528 1.00 73.01 MOL1 N ATOM 3953 CA ILE F 86 45.587−69.511 −29.685 1.00 66.86 MOL1 C ATOM 3954 CB ILE F 86 47.086 −69.616−29.916 1.00 62.51 MOL1 C ATOM 3955 CG2 ILE F 86 47.517 −68.659 −31.0011.00 65.24 MOL1 C ATOM 3956 CG1 ILE F 86 47.819 −69.275 −28.627 1.0063.85 MOL1 C ATOM 3957 CD1 ILE F 86 47.574 −67.867 −28.164 1.00 67.54MOL1 C ATOM 3958 C ILE F 86 44.878 −69.862 −30.990 1.00 68.99 MOL1 CATOM 3959 O ILE F 86 44.976 −69.131 −31.968 1.00 68.04 MOL1 O ATOM 3960N SER F 87 44.180 −70.986 −31.019 1.00 71.82 MOL1 N ATOM 3961 CA SER F87 43.469 −71.387 −32.221 1.00 74.84 MOL1 C ATOM 3962 CB SER F 87 42.552−72.576 −31.903 1.00 82.77 MOL1 C ATOM 3963 OG SER F 87 41.886 −73.074−33.056 1.00 95.03 MOL1 O ATOM 3964 C SER F 87 42.646 −70.187 −32.6671.00 72.74 MOL1 C ATOM 3965 O SER F 87 42.545 −69.884 −33.857 1.00 76.14MOL1 O ATOM 3966 N MET F 88 42.063 −69.508 −31.686 1.00 66.96 MOL1 NATOM 3967 CA MET F 88 41.255 −68.327 −31.930 1.00 63.80 MOL1 C ATOM 3968CB MET F 88 39.776 −68.664 −31.766 1.00 69.38 MOL1 C ATOM 3969 CG MET F88 39.454 −69.527 −30.563 1.00 66.78 MOL1 C ATOM 3970 SD MET F 88 37.930−70.420 −30.863 1.00 82.70 MOL1 S ATOM 3971 CE MET F 88 37.841 −70.294−32.706 1.00 63.90 MOL1 C ATOM 3972 C MET F 88 41.698 −67.259 −30.9461.00 59.78 MOL1 C ATOM 3973 O MET F 88 42.161 −67.568 −29.852 1.00 59.48MOL1 O ATOM 3974 N ASN F 89 41.576 −65.998 −31.329 1.00 55.69 MOL1 NATOM 3975 CA ASN F 89 42.027 −64.939 −30.444 1.00 53.75 MOL1 C ATOM 3976CB ASN F 89 43.081 −64.070 −31.142 1.00 52.35 MOL1 C ATOM 3977 CG ASN F89 43.344 −64.504 −32.578 1.00 64.68 MOL1 C ATOM 3978 OD1 ASN F 8942.488 −64.364 −33.479 1.00 58.98 MOL1 O ATOM 3979 ND2 ASN F 89 44.542−65.039 −32.803 1.00 63.95 MOL1 N ATOM 3980 C ASN F 89 40.906 −64.057−29.958 1.00 49.73 MOL1 C ATOM 3981 O ASN F 89 39.824 −64.029 −30.5351.00 44.83 MOL1 O ATOM 3982 N SER F 90 41.187 −63.339 −28.882 1.00 47.88MOL1 N ATOM 3983 CA SER F 90 40.236 −62.421 −28.309 1.00 46.14 MOL1 CATOM 3984 CB SER F 90 40.332 −62.444 −26.788 1.00 50.49 MOL1 C ATOM 3985OG SER F 90 41.550 −61.893 −26.350 1.00 54.17 MOL1 O ATOM 3986 C SER F90 40.602 −61.044 −28.842 1.00 45.32 MOL1 C ATOM 3987 O SER F 90 41.759−60.661 −28.846 1.00 44.68 MOL1 O ATOM 3988 N VAL F 91 39.606 −60.299−29.296 1.00 49.75 MOL1 N ATOM 3989 CA VAL F 91 39.835 −58.975 −29.8551.00 43.00 MOL1 C ATOM 3990 CB VAL F 91 39.562 −58.996 −31.353 1.0044.58 MOL1 C ATOM 3991 CG1 VAL F 91 40.346 −60.112 −32.007 1.00 39.33MOL1 C ATOM 3992 CG2 VAL F 91 38.088 −59.190 −31.590 1.00 43.86 MOL1 CATOM 3993 C VAL F 91 38.951 −57.901 −29.225 1.00 40.23 MOL1 C ATOM 3994O VAL F 91 37.839 −58.165 −28.784 1.00 41.96 MOL1 O ATOM 3995 N PRO F 9239.438 −56.664 −29.196 1.00 38.69 MOL1 N ATOM 3996 CD PRO F 92 40.726−56.207 −29.746 1.00 35.80 MOL1 C ATOM 3997 CA PRO F 92 38.702 −55.543−28.622 1.00 36.62 MOL1 C ATOM 3998 CB PRO F 92 39.752 −54.448 −28.5801.00 36.65 MOL1 C ATOM 3999 CG PRO F 92 40.517 −54.706 −29.835 1.0030.67 MOL1 C ATOM 4000 C PRO F 92 37.536 −55.119 −29.479 1.00 40.66 MOL1C ATOM 4001 O PRO F 92 37.569 −55.269 −30.707 1.00 34.89 MOL1 O ATOM4002 N ILE F 93 36.510 −54.586 −28.817 1.00 47.41 MOL1 N ATOM 4003 CAILE F 93 35.332 −54.039 −29.486 1.00 50.35 MOL1 C ATOM 4004 CB ILE F 9334.036 −54.655 −28.992 1.00 45.89 MOL1 C ATOM 4005 CG2 ILE F 93 32.872−53.861 −29.482 1.00 41.56 MOL1 C ATOM 4006 CG1 ILE F 93 33.907 −56.042−29.582 1.00 52.55 MOL1 C ATOM 4007 CD1 ILE F 93 34.323 −56.053 −31.0531.00 54.32 MOL1 C ATOM 4008 C ILE F 93 35.358 −52.563 −29.143 1.00 52.88MOL1 C ATOM 4009 O ILE F 93 35.367 −52.186 −27.965 1.00 53.96 MOL1 OATOM 4010 N GLN F 94 35.390 −51.726 −30.169 1.00 54.61 MOL1 N ATOM 4011CA GLN F 94 35.480 −50.299 −29.932 1.00 61.83 MOL1 C ATOM 4012 CB GLN F94 36.777 −49.786 −30.567 1.00 65.47 MOL1 C ATOM 4013 CG GLN F 94 37.895−50.835 −30.493 1.00 73.25 MOL1 C ATOM 4014 CD GLN F 94 39.256 −50.339−30.958 1.00 80.32 MOL1 C ATOM 4015 OE1 GLN F 94 39.385 −49.742 −32.0251.00 85.68 MOL1 O ATOM 4016 NE2 GLN F 94 40.285 −50.606 −30.159 1.0082.71 MOL1 N ATOM 4017 C GLN F 94 34.270 −49.526 −30.436 1.00 62.17 MOL1C ATOM 4018 O GLN F 94 33.593 −49.945 −31.369 1.00 61.53 MOL1 O ATOM4019 N GLN F 95 33.980 −48.411 −29.784 1.00 64.37 MOL1 N ATOM 4020 CAGLN F 95 32.865 −47.585 −30.193 1.00 69.61 MOL1 C ATOM 4021 CB GLN F 9531.633 −47.854 −29.324 1.00 76.42 MOL1 C ATOM 4022 CG GLN F 95 30.368−47.159 −29.829 1.00 90.85 MOL1 C ATOM 4023 CD GLN F 95 29.994 −47.569−31.257 1.00 99.98 MOL1 C ATOM 4024 OE1 GLN F 95 30.834 −47.553 −32.1651.00 101.86 MOL1 O ATOM 4025 NE2 GLN F 95 28.725 −47.925 −31.461 1.00101.41 MOL1 N ATOM 4026 C GLN F 95 33.286 −46.126 −30.092 1.00 72.26MOL1 C ATOM 4027 O GLN F 95 33.953 −45.722 −29.137 1.00 74.42 MOL1 OATOM 4028 N GLU F 96 32.925 −45.342 −31.100 1.00 72.04 MOL1 N ATOM 4029CA GLU F 96 33.260 −43.926 −31.106 1.00 73.98 MOL1 C ATOM 4030 CB GLU F96 33.285 −43.385 −32.533 1.00 89.18 MOL1 C ATOM 4031 CG GLU F 96 33.479−44.450 −33.609 1.00 111.90 MOL1 C ATOM 4032 CD GLU F 96 32.691 −44.149−34.886 1.00 123.07 MOL1 C ATOM 4033 OE1 GLU F 96 32.906 −43.070 −35.4901.00 128.72 MOL1 O ATOM 4034 OE2 GLU F 96 31.853 −44.996 −35.283 1.00126.28 MOL1 O ATOM 4035 C GLU F 96 32.164 −43.214 −30.327 1.00 69.11MOL1 C ATOM 4036 O GLU F 96 30.976 −43.450 −30.547 1.00 65.22 MOL1 OATOM 4037 N THR F 97 32.553 −42.346 −29.409 1.00 66.72 MOL1 N ATOM 4038CA THR F 97 31.563 −41.626 −28.639 1.00 65.32 MOL1 C ATOM 4039 CB THR F97 31.453 −42.179 −27.217 1.00 70.87 MOL1 C ATOM 4040 OG1 THR F 9730.424 −41.476 −26.502 1.00 77.01 MOL1 O ATOM 4041 CG2 THR F 97 32.777−42.012 −26.490 1.00 74.82 MOL1 C ATOM 4042 C THR F 97 31.919 −40.157−28.572 1.00 63.86 MOL1 C ATOM 4043 O THR F 97 33.015 −39.749 −28.9591.00 62.62 MOL1 O ATOM 4044 N LEU F 98 30.972 −39.367 −28.083 1.00 62.38MOL1 N ATOM 4045 CA LEU F 98 31.149 −37.931 −27.943 1.00 55.68 MOL1 CATOM 4046 CB LEU F 98 29.928 −37.211 −28.489 1.00 46.64 MOL1 C ATOM 4047CG LEU F 98 30.174 −36.317 −29.694 1.00 53.13 MOL1 C ATOM 4048 CD1 LEU F98 31.477 −36.689 −30.361 1.00 50.09 MOL1 C ATOM 4049 CD2 LEU F 9828.999 −36.448 −30.655 1.00 50.02 MOL1 C ATOM 4050 C LEU F 98 31.317−37.557 −26.483 1.00 56.71 MOL1 C ATOM 4051 O LEU F 98 30.759 −38.205−25.593 1.00 61.16 MOL1 O ATOM 4052 N VAL F 99 32.104 −36.521 −26.2361.00 55.74 MOL1 N ATOM 4053 CA VAL F 99 32.297 −36.019 −24.879 1.0059.04 MOL1 C ATOM 4054 CB VAL F 99 33.607 −36.506 −24.238 1.00 58.49MOL1 C ATOM 4055 CG1 VAL F 99 33.606 −38.022 −24.126 1.00 57.95 MOL1 CATOM 4056 CG2 VAL F 99 34.780 −36.021 −25.046 1.00 61.88 MOL1 C ATOM4057 C VAL F 99 32.349 −34.513 −25.011 1.00 59.25 MOL1 C ATOM 4058 O VALF 99 32.518 −33.992 −26.107 1.00 61.46 MOL1 O ATOM 4059 N VAL F 10032.190 −33.800 −23.911 1.00 60.54 MOL1 N ATOM 4060 CA VAL F 100 32.228−32.354 −24.000 1.00 66.71 MOL1 C ATOM 4061 CB VAL F 100 30.931 −31.750−23.498 1.00 65.97 MOL1 C ATOM 4062 CG1 VAL F 100 29.859 −31.863 −24.5561.00 67.66 MOL1 C ATOM 4063 CG2 VAL F 100 30.506 −32.480 −22.247 1.0064.33 MOL1 C ATOM 4064 C VAL F 100 33.362 −31.793 −23.178 1.00 73.23MOL1 C ATOM 4065 O VAL F 100 33.632 −32.274 −22.070 1.00 74.60 MOL1 OATOM 4066 N ARG F 101 34.032 −30.783 −23.727 1.00 76.93 MOL1 N ATOM 4067CA ARG F 101 35.127 −30.142 −23.024 1.00 83.86 MOL1 C ATOM 4068 CB ARG F101 36.377 −30.089 −23.896 1.00 85.11 MOL1 C ATOM 4069 CG ARG F 10137.053 −31.438 −23.963 1.00 92.87 MOL1 C ATOM 4070 CD ARG F 101 38.536−31.369 −24.259 1.00 97.30 MOL1 C ATOM 4071 NE ARG F 101 39.193 −32.540−23.689 1.00 100.67 MOL1 N ATOM 4072 CZ ARG F 101 39.300 −32.762 −22.3831.00 102.06 MOL1 C ATOM 4073 NH1 ARG F 101 38.803 −31.884 −21.521 1.00100.04 MOL1 N ATOM 4074 NH2 ARG F 101 39.881 −33.870 −21.936 1.00 104.84MOL1 N ATOM 4075 C ARG F 101 34.721 −28.753 −22.585 1.00 89.71 MOL1 CATOM 4076 O ARG F 101 34.097 −28.005 −23.340 1.00 89.09 MOL1 O ATOM 4077N ARG F 102 35.054 −28.430 −21.341 1.00 97.16 MOL1 N ATOM 4078 CA ARG F102 34.730 −27.135 −20.767 1.00 107.35 MOL1 C ATOM 4079 CB ARG F 10234.273 −27.316 −19.312 1.00 110.28 MOL1 C ATOM 4080 CG ARG F 102 33.813−26.036 −18.622 1.00 116.90 MOL1 C ATOM 4081 CD ARG F 102 33.005 −26.322−17.350 1.00 118.91 MOL1 C ATOM 4082 NE ARG F 102 33.782 −26.977 −16.2981.00 119.03 MOL1 N ATOM 4083 CZ ARG F 102 33.271 −27.386 −15.140 1.00119.45 MOL1 C ATOM 4084 NH1 ARG F 102 31.980 −27.207 −14.885 1.00 119.89MOL1 N ATOM 4085 NH2 ARG F 102 34.046 −27.974 −14.237 1.00 117.70 MOL1 NATOM 4086 C ARG F 102 35.983 −26.276 −20.837 1.00 113.63 MOL1 C ATOM4087 O ARG F 102 36.818 −26.307 −19.931 1.00 116.27 MOL1 O ATOM 4088 NLYS F 103 36.121 −25.518 −21.922 1.00 120.15 MOL1 N ATOM 4089 CA LYS F103 37.293 −24.668 −22.103 1.00 128.06 MOL1 C ATOM 4090 CB LYS F 10337.552 −24.419 −23.600 1.00 129.18 MOL1 C ATOM 4091 CG LYS F 103 38.204−25.604 −24.315 1.00 133.24 MOL1 C ATOM 4092 CD LYS F 103 38.661 −25.262−25.732 1.00 137.99 MOL1 C ATOM 4093 CE LYS F 103 39.419 −26.434 −26.3731.00 140.56 MOL1 C ATOM 4094 NZ LYS F 103 39.910 −26.140 −27.757 1.00139.88 MOL1 N ATOM 4095 C LYS F 103 37.224 −23.342 −21.350 1.00 133.17MOL1 C ATOM 4096 O LYS F 103 36.158 −22.726 −21.244 1.00 134.08 MOL1 OATOM 4097 N HIS F 104 38.373 −22.927 −20.814 1.00 137.83 MOL1 N ATOM4098 CA HIS F 104 38.500 −21.675 −20.074 1.00 144.47 MOL1 C ATOM 4099 CBHIS F 104 37.925 −20.528 −20.916 1.00 150.75 MOL1 C ATOM 4100 CG HIS F104 38.359 −20.554 −22.353 1.00 158.24 MOL1 C ATOM 4101 CD2 HIS F 10439.416 −21.150 −22.957 1.00 161.11 MOL1 C ATOM 4102 ND1 HIS F 104 37.660−19.911 −23.354 1.00 160.78 MOL1 N ATOM 4103 CE1 HIS F 104 38.266−20.111 −24.512 1.00 162.24 MOL1 C ATOM 4104 NE2 HIS F 104 39.334−20.860 −24.299 1.00 162.96 MOL1 N ATOM 4105 C HIS F 104 37.800 −21.739−18.707 1.00 147.30 MOL1 C ATOM 4106 O HIS F 104 37.140 −22.730 −18.3781.00 145.39 MOL1 O ATOM 4107 N GLN F 105 37.956 −20.683 −17.909 1.00150.81 MOL1 N ATOM 4108 CA GLN F 105 37.335 −20.621 −16.586 1.00 150.93MOL1 C ATOM 4109 CB GLN F 105 38.403 −20.763 −15.478 1.00 153.40 MOL1 CATOM 4110 CG GLN F 105 39.723 −20.006 −15.700 1.00 154.82 MOL1 C ATOM4111 CD GLN F 105 39.681 −18.548 −15.257 1.00 155.99 MOL1 C ATOM 4112OE1 GLN F 105 40.679 −17.829 −15.362 1.00 154.70 MOL1 O ATOM 4113 NE2GLN F 105 38.531 −18.108 −14.755 1.00 155.92 MOL1 N ATOM 4114 C GLN F105 36.496 −19.357 −16.366 1.00 149.14 MOL1 C ATOM 4115 O GLN F 10536.445 −18.464 −17.221 1.00 145.42 MOL1 O ATOM 4116 N GLY F 106 35.819−19.305 −15.223 1.00 147.74 MOL1 N ATOM 4117 CA GLY F 106 34.997 −18.154−14.897 1.00 147.34 MOL1 C ATOM 4118 C GLY F 106 33.842 −17.884 −15.8431.00 147.13 MOL1 C ATOM 4119 O GLY F 106 33.125 −18.801 −16.246 1.00145.82 MOL1 O ATOM 4120 N CYS F 107 33.654 −16.617 −16.200 1.00 147.53MOL1 N ATOM 4121 CA CYS F 107 32.558 −16.255 −17.086 1.00 148.41 MOL1 CATOM 4122 C CYS F 107 32.903 −16.477 −18.554 1.00 145.11 MOL1 C ATOM4123 O CYS F 107 32.017 −16.507 −19.409 1.00 142.60 MOL1 O ATOM 4124 CBCYS F 107 32.123 −14.801 −16.851 1.00 155.97 MOL1 C ATOM 4125 SG CYS F107 31.605 −14.369 −15.144 1.00 165.92 MOL1 S ATOM 4126 N SER F 10834.191 −16.651 −18.836 1.00 143.69 MOL1 N ATOM 4127 CA SER F 108 34.660−16.887 −20.201 1.00 144.58 MOL1 C ATOM 4128 CB SER F 108 36.080 −16.327−20.360 1.00 145.52 MOL1 C ATOM 4129 OG SER F 108 36.549 −16.458 −21.6931.00 144.26 MOL1 O ATOM 4130 C SER F 108 34.646 −18.389 −20.532 1.00143.38 MOL1 C ATOM 4131 O SER F 108 35.564 −18.902 −21.182 1.00 143.38MOL1 O ATOM 4132 N VAL F 109 33.591 −19.078 −20.090 1.00 139.43 MOL1 NATOM 4133 CA VAL F 109 33.429 −20.521 −20.303 1.00 131.17 MOL1 C ATOM4134 CB VAL F 109 32.716 −21.171 −19.084 1.00 129.56 MOL1 C ATOM 4135CG1 VAL F 109 31.765 −22.265 −19.543 1.00 127.20 MOL1 C ATOM 4136 CG2VAL F 109 33.757 −21.745 −18.128 1.00 127.59 MOL1 C ATOM 4137 C VAL F109 32.691 −20.929 −21.587 1.00 126.27 MOL1 C ATOM 4138 O VAL F 10931.581 −20.465 −21.874 1.00 120.54 MOL1 O ATOM 4139 N SER F 110 33.334−21.813 −22.344 1.00 121.64 MOL1 N ATOM 4140 CA SER F 110 32.800 −22.328−23.595 1.00 117.57 MOL1 C ATOM 4141 CB SER F 110 33.668 −21.847 −24.7591.00 118.18 MOL1 C ATOM 4142 OG SER F 110 35.003 −22.314 −24.627 1.00114.40 MOL1 O ATOM 4143 C SER F 110 32.812 −23.859 −23.534 1.00 115.99MOL1 C ATOM 4144 O SER F 110 33.538 −24.449 −22.724 1.00 113.41 MOL1 OATOM 4145 N PHE F 111 32.013 −24.493 −24.393 1.00 111.00 MOL1 N ATOM4146 CA PHE F 111 31.906 −25.952 −24.451 1.00 100.84 MOL1 C ATOM 4147 CBPHE F 111 30.495 −26.371 −24.048 1.00 102.04 MOL1 C ATOM 4148 CG PHE F111 30.207 −26.211 −22.584 1.00 102.79 MOL1 C ATOM 4149 CD1 PHE F 11128.910 −26.274 −22.112 1.00 102.51 MOL1 C ATOM 4150 CD2 PHE F 111 31.236−26.050 −21.675 1.00 105.75 MOL1 C ATOM 4151 CE1 PHE F 111 28.643−26.185 −20.763 1.00 104.73 MOL1 C ATOM 4152 CE2 PHE F 111 30.975−25.960 −20.322 1.00 107.04 MOL1 C ATOM 4153 CZ PHE F 111 29.678 −26.028−19.866 1.00 107.03 MOL1 C ATOM 4154 C PHE F 111 32.192 −26.461 −25.8611.00 96.24 MOL1 C ATOM 4155 O PHE F 111 31.634 −25.944 −26.825 1.0097.45 MOL1 O ATOM 4156 N GLN F 112 33.046 −27.474 −25.984 1.00 90.96MOL1 N ATOM 4157 CA GLN F 112 33.377 −28.027 −27.302 1.00 88.10 MOL1 CATOM 4158 CB GLN F 112 34.839 −27.707 −27.658 1.00 89.11 MOL1 C ATOM4159 CG GLN F 112 35.134 −27.663 −29.163 1.00 92.05 MOL1 C ATOM 4160 CDGLN F 112 36.621 −27.503 −29.502 1.00 92.21 MOL1 C ATOM 4161 OE1 GLN F112 36.976 −27.271 −30.659 1.00 96.55 MOL1 O ATOM 4162 NE2 GLN F 11237.488 −27.638 −28.502 1.00 85.91 MOL1 N ATOM 4163 C GLN F 112 33.155−29.546 −27.334 1.00 85.52 MOL1 C ATOM 4164 O GLN F 112 33.425 −30.241−26.351 1.00 89.03 MOL1 O ATOM 4165 N LEU F 113 32.665 −30.054 −28.4631.00 76.08 MOL1 N ATOM 4166 CA LEU F 113 32.401 −31.481 −28.616 1.0074.73 MOL1 C ATOM 4167 CB LEU F 113 31.296 −31.709 −29.646 1.00 75.29MOL1 C ATOM 4168 CG LEU F 113 29.823 −31.586 −29.268 1.00 72.94 MOL1 CATOM 4169 CD1 LEU F 113 28.966 −32.072 −30.428 1.00 66.97 MOL1 C ATOM4170 CD2 LEU F 113 29.547 −32.422 −28.041 1.00 74.24 MOL1 C ATOM 4171 CLEU F 113 33.609 −32.289 −29.063 1.00 76.76 MOL1 C ATOM 4172 O LEU F 11334.010 −32.193 −30.214 1.00 82.45 MOL1 O ATOM 4173 N GLU F 114 34.174−33.102 −28.174 1.00 78.11 MOL1 N ATOM 4174 CA GLU F 114 35.327 −33.938−28.523 1.00 76.38 MOL1 C ATOM 4175 CB GLU F 114 36.298 −34.020 −27.3461.00 83.54 MOL1 C ATOM 4176 CG GLU F 114 37.616 −34.715 −27.646 1.0094.24 MOL1 C ATOM 4177 CD GLU F 114 38.585 −34.679 −26.460 1.00 102.03MOL1 C ATOM 4178 OE1 GLU F 114 39.778 −35.005 −26.660 1.00 108.49 MOL1 OATOM 4179 OE2 GLU F 114 38.159 −34.334 −25.331 1.00 97.17 MOL1 O ATOM4180 C GLU F 114 34.834 −35.336 −28.891 1.00 73.99 MOL1 C ATOM 4181 OGLU F 114 33.780 −35.776 −28.422 1.00 77.13 MOL1 O ATOM 4182 N LYS F 11535.600 −36.028 −29.728 1.00 67.97 MOL1 N ATOM 4183 CA LYS F 115 35.245−37.370 −30.191 1.00 64.48 MOL1 C ATOM 4184 CB LYS F 115 35.253 −37.370−31.715 1.00 58.29 MOL1 C ATOM 4185 CG LYS F 115 34.541 −38.513 −32.3831.00 67.40 MOL1 C ATOM 4186 CD LYS F 115 34.404 −38.195 −33.871 1.0076.87 MOL1 C ATOM 4187 CE LYS F 115 33.755 −39.311 −34.670 1.00 82.63MOL1 C ATOM 4188 NZ LYS F 115 33.840 −39.010 −36.129 1.00 86.82 MOL1 NATOM 4189 C LYS F 115 36.253 −38.381 −29.647 1.00 62.95 MOL1 C ATOM 4190O LYS F 115 37.446 −38.279 −29.911 1.00 70.29 MOL1 O ATOM 4191 N VAL F116 35.781 −39.359 −28.886 1.00 60.57 MOL1 N ATOM 4192 CA VAL F 11636.677 −40.346 −28.291 1.00 60.31 MOL1 C ATOM 4193 CB VAL F 116 36.570−40.317 −26.760 1.00 57.13 MOL1 C ATOM 4194 CG1 VAL F 116 37.397 −41.430−26.164 1.00 56.19 MOL1 C ATOM 4195 CG2 VAL F 116 37.027 −38.977 −26.2321.00 57.63 MOL1 C ATOM 4196 C VAL F 116 36.378 −41.767 −28.724 1.0060.44 MOL1 C ATOM 4197 O VAL F 116 35.221 −42.163 −28.767 1.00 64.04MOL1 O ATOM 4198 N LEU F 117 37.420 −42.536 −29.027 1.00 58.45 MOL1 NATOM 4199 CA LEU F 117 37.247 −43.922 −29.437 1.00 55.47 MOL1 C ATOM4200 CB LEU F 117 38.244 −44.267 −30.549 1.00 63.12 MOL1 C ATOM 4201 CGLEU F 117 38.288 −45.628 −31.284 1.00 67.28 MOL1 C ATOM 4202 CD1 LEU F117 39.302 −46.566 −30.620 1.00 61.33 MOL1 C ATOM 4203 CD2 LEU F 11736.883 −46.240 −31.360 1.00 69.08 MOL1 C ATOM 4204 C LEU F 117 37.515−44.764 −28.210 1.00 53.29 MOL1 C ATOM 4205 O LEU F 117 38.617 −44.725−27.660 1.00 51.96 MOL1 O ATOM 4206 N VAL F 118 36.515 −45.523 −27.7761.00 49.31 MOL1 N ATOM 4207 CA VAL F 118 36.689 −46.345 −26.589 1.0048.83 MOL1 C ATOM 4208 CB VAL F 118 35.680 −45.968 −25.488 1.00 46.37MOL1 C ATOM 4209 CG1 VAL F 118 34.759 −44.865 −25.976 1.00 45.08 MOL1 CATOM 4210 CG2 VAL F 118 34.881 −47.190 −25.089 1.00 50.73 MOL1 C ATOM4211 C VAL F 118 36.582 −47.835 −26.819 1.00 45.57 MOL1 C ATOM 4212 OVAL F 118 35.818 −48.309 −27.644 1.00 44.70 MOL1 O ATOM 4213 N THR F 11937.374 −48.572 −26.068 1.00 48.59 MOL1 N ATOM 4214 CA THR F 119 37.362−50.014 −26.154 1.00 52.88 MOL1 C ATOM 4215 CB THR F 119 38.759 −50.590−25.885 1.00 59.66 MOL1 C ATOM 4216 OG1 THR F 119 39.762 −49.777 −26.5271.00 56.23 MOL1 O ATOM 4217 CG2 THR F 119 38.832 −52.001 −26.410 1.0059.86 MOL1 C ATOM 4218 C THR F 119 36.394 −50.483 −25.072 1.00 52.98MOL1 C ATOM 4219 O THR F 119 36.707 −50.477 −23.874 1.00 58.84 MOL1 OATOM 4220 N VAL F 120 35.207 −50.875 −25.500 1.00 48.92 MOL1 N ATOM 4221CA VAL F 120 34.176 −51.315 −24.582 1.00 50.01 MOL1 C ATOM 4222 CB VAL F120 32.853 −51.393 −25.294 1.00 51.62 MOL1 C ATOM 4223 CG1 VAL F 12031.758 −51.556 −24.287 1.00 63.24 MOL1 C ATOM 4224 CG2 VAL F 120 32.640−50.145 −26.107 1.00 59.91 MOL1 C ATOM 4225 C VAL F 120 34.444 −52.670−23.950 1.00 50.12 MOL1 C ATOM 4226 O VAL F 120 34.011 −52.946 −22.8271.00 52.69 MOL1 O ATOM 4227 N GLY F 121 35.146 −53.523 −24.681 1.0051.02 MOL1 N ATOM 4228 CA GLY F 121 35.458 −54.845 −24.170 1.00 48.28MOL1 C ATOM 4229 C GLY F 121 35.996 −55.766 −25.247 1.00 46.24 MOL1 CATOM 4230 O GLY F 121 36.242 −55.352 −26.375 1.00 48.77 MOL1 O ATOM 4231N CYS F 122 36.170 −57.033 −24.918 1.00 41.90 MOL1 N ATOM 4232 CA CYS F122 36.701 −57.955 −25.898 1.00 42.96 MOL1 C ATOM 4233 C CYS F 12235.763 −59.099 −26.193 1.00 38.05 MOL1 C ATOM 4234 O CYS F 122 34.935−59.456 −25.377 1.00 42.43 MOL1 O ATOM 4235 CB CYS F 122 38.060 −58.460−25.421 1.00 49.93 MOL1 C ATOM 4236 SG CYS F 122 39.197 −57.060 −25.1731.00 57.69 MOL1 S ATOM 4237 N THR F 123 35.890 −59.653 −27.386 1.0037.65 MOL1 N ATOM 4238 CA THR F 123 35.057 −60.762 −27.828 1.00 46.81MOL1 C ATOM 4239 CB THR F 123 34.071 −60.318 −28.953 1.00 46.83 MOL1 CATOM 4240 OG1 THR F 123 33.219 −61.409 −29.343 1.00 42.75 MOL1 O ATOM4241 CG2 THR F 123 34.846 −59.884 −30.167 1.00 44.62 MOL1 C ATOM 4242 CTHR F 123 35.998 −61.802 −28.416 1.00 49.43 MOL1 C ATOM 4243 O THR F 12336.977 −61.451 −29.054 1.00 44.66 MOL1 O ATOM 4244 N CYS F 124 35.708−63.081 −28.215 1.00 56.46 MOL1 N ATOM 4245 CA CYS F 124 36.570 −64.114−28.772 1.00 62.94 MOL1 C ATOM 4246 C CYS F 124 36.189 −64.448 −30.2091.00 63.67 MOL1 C ATOM 4247 O CYS F 124 35.094 −64.939 −30.473 1.0065.06 MOL1 O ATOM 4248 CB CYS F 124 36.513 −65.393 −27.938 1.00 73.40MOL1 C ATOM 4249 SG CYS F 124 37.416 −66.770 −28.722 1.00 83.45 MOL1 SATOM 4250 N VAL F 125 37.103 −64.194 −31.139 1.00 64.45 MOL1 N ATOM 4251CA VAL F 125 36.833 −64.470 −32.544 1.00 61.66 MOL1 C ATOM 4252 CB VAL F125 36.962 −63.201 −33.401 1.00 63.16 MOL1 C ATOM 4253 CG1 VAL F 12536.531 −61.994 −32.605 1.00 62.70 MOL1 C ATOM 4254 CG2 VAL F 125 38.389−63.041 −33.878 1.00 68.18 MOL1 C ATOM 4255 C VAL F 125 37.775 −65.508−33.130 1.00 60.75 MOL1 C ATOM 4256 O VAL F 125 38.869 −65.755 −32.6091.00 58.76 MOL1 O ATOM 4257 N THR F 126 37.336 −66.107 −34.229 1.0058.58 MOL1 N ATOM 4258 CA THR F 126 38.119 −67.110 −34.924 1.00 63.13MOL1 C ATOM 4259 CB THR F 126 37.274 −68.320 −35.334 1.00 67.09 MOL1 CATOM 4260 OG1 THR F 126 38.052 −69.165 −36.192 1.00 78.72 MOL1 O ATOM4261 CG2 THR F 126 36.022 −67.878 −36.079 1.00 67.81 MOL1 C ATOM 4262 CTHR F 126 38.666 −66.472 −36.181 1.00 62.28 MOL1 C ATOM 4263 O THR F 12637.917 −65.950 −36.991 1.00 62.89 MOL1 O ATOM 4264 N PRO F 127 39.989−66.507 −36.362 1.00 64.71 MOL1 N ATOM 4265 CD PRO F 127 40.989 −67.318−35.652 1.00 69.31 MOL1 C ATOM 4266 CA PRO F 127 40.578 −65.904 −37.5511.00 65.15 MOL1 C ATOM 4267 CB PRO F 127 42.042 −66.317 −37.461 1.0064.98 MOL1 C ATOM 4268 CG PRO F 127 41.971 −67.618 −36.755 1.00 68.75MOL1 C ATOM 4269 C PRO F 127 39.916 −66.437 −38.785 1.00 66.45 MOL1 CATOM 4270 O PRO F 127 39.351 −67.526 −38.764 1.00 66.09 MOL1 O ATOM 4271N VAL F 128 39.969 −65.651 −39.850 1.00 70.08 MOL1 N ATOM 4272 CA VAL F128 39.386 −66.046 −41.115 1.00 80.54 MOL1 C ATOM 4273 CB VAL F 12839.215 −64.804 −42.016 1.00 78.41 MOL1 C ATOM 4274 CG1 VAL F 128 40.414−63.935 −41.878 1.00 82.53 MOL1 C ATOM 4275 CG2 VAL F 128 39.024 −65.195−43.470 1.00 78.29 MOL1 C ATOM 4276 C VAL F 128 40.340 −67.060 −41.7401.00 89.03 MOL1 C ATOM 4277 O VAL F 128 41.331 −66.690 −42.361 1.0095.20 MOL1 O ATOM 4278 N ILE F 129 40.056 −68.345 −41.553 1.00 98.16MOL1 N ATOM 4279 CA ILE F 129 40.912 −69.395 −42.102 1.00 107.61 MOL1 CATOM 4280 CB ILE F 129 40.760 −70.716 −41.310 1.00 112.00 MOL1 C ATOM4281 CG2 ILE F 129 41.726 −71.764 −41.847 1.00 107.86 MOL1 C ATOM 4282CG1 ILE F 129 41.038 −70.468 −39.822 1.00 121.08 MOL1 C ATOM 4283 CD1ILE F 129 40.925 −71.714 −38.933 1.00 126.52 MOL1 C ATOM 4284 C ILE F129 40.580 −69.666 −43.567 1.00 112.94 MOL1 C ATOM 4285 O ILE F 12941.411 −70.172 −44.314 1.00 113.20 MOL1 O ATOM 4286 N HIS F 130 39.356−69.328 −43.961 1.00 121.19 MOL1 N ATOM 4287 CA HIS F 130 38.863 −69.516−45.329 1.00 127.35 MOL1 C ATOM 4288 CB HIS F 130 37.560 −68.713 −45.4851.00 130.61 MOL1 C ATOM 4289 CG HIS F 130 36.861 −68.454 −44.181 1.00134.06 MOL1 C ATOM 4290 CD2 HIS F 130 36.356 −67.315 −43.648 1.00 135.37MOL1 C ATOM 4291 ND1 HIS F 130 36.673 −69.435 −43.229 1.00 135.79 MOL1 NATOM 4292 CE1 HIS F 130 36.090 −68.911 −42.165 1.00 135.80 MOL1 C ATOM4293 NE2 HIS F 130 35.888 −67.625 −42.392 1.00 135.87 MOL1 N ATOM 4294 CHIS F 130 39.913 −69.107 −46.383 1.00 128.31 MOL1 C ATOM 4295 O HIS F130 39.855 −68.006 −46.948 1.00 121.52 MOL1 O ATOM 4296 N HIS F 13140.850 −70.030 −46.629 1.00 133.20 MOL1 N ATOM 4297 CA HIS F 131 41.987−69.884 −47.554 1.00 140.61 MOL1 C ATOM 4298 CB HIS F 131 41.730 −70.652−48.864 1.00 144.36 MOL1 C ATOM 4299 CG HIS F 131 42.975 −70.917 −49.6631.00 147.92 MOL1 C ATOM 4300 CD2 HIS F 131 43.462 −72.061 −50.203 1.00148.07 MOL1 C ATOM 4301 ND1 HIS F 131 43.881 −69.929 −49.987 1.00 148.71MOL1 N ATOM 4302 CE1 HIS F 131 44.871 −70.451 −50.689 1.00 148.41 MOL1 CATOM 4303 NE2 HIS F 131 44.641 −71.744 −50.835 1.00 147.74 MOL1 N ATOM4304 C HIS F 131 42.393 −68.440 −47.879 1.00 141.82 MOL1 C ATOM 4305 OHIS F 131 43.448 −67.961 −47.439 1.00 140.46 MOL1 O ATOM 4306 N VAL F132 41.557 −67.770 −48.668 1.00 141.67 MOL1 N ATOM 4307 CA VAL F 13241.771 −66.384 −49.077 1.00 139.40 MOL1 C ATOM 4308 CB VAL F 132 42.654−66.291 −50.359 1.00 137.24 MOL1 C ATOM 4309 CG1 VAL F 132 42.877−64.827 −50.736 1.00 135.57 MOL1 C ATOM 4310 CG2 VAL F 132 43.990−66.999 −50.140 1.00 131.43 MOL1 C ATOM 4311 C VAL F 132 40.387 −65.818−49.391 1.00 140.29 MOL1 C ATOM 4312 O VAL F 132 39.658 −65.379 −48.4971.00 137.38 MOL1 O ATOM 4313 N GLN F 133 40.035 −65.856 −50.673 1.00142.86 MOL1 N ATOM 4314 CA GLN F 133 38.746 −65.377 −51.162 1.00 143.14MOL1 C ATOM 4315 CB GLN F 133 38.770 −63.848 −51.309 1.00 143.32 MOL1 CATOM 4316 CG GLN F 133 37.404 −63.157 −51.215 1.00 142.55 MOL1 C ATOM4317 CD GLN F 133 36.460 −63.506 −52.361 1.00 143.56 MOL1 C ATOM 4318OE1 GLN F 133 36.766 −63.274 −53.536 1.00 141.91 MOL1 O ATOM 4319 NE2GLN F 133 35.299 −64.059 −52.019 1.00 141.58 MOL1 N ATOM 4320 C GLN F133 38.518 −66.045 −52.525 1.00 143.02 MOL1 C ATOM 4321 O GLN F 13337.554 −66.833 −52.645 1.00 141.78 MOL1 O ATOM 4322 OXT GLN F 133 39.323−65.789 −53.451 1.00 142.78 MOL1 O ATOM 4323 CB ALA C 1 −4.305 −58.626−73.057 1.00 101.99 MOL2 C ATOM 4324 C ALA C 1 −3.330 −57.854 −70.8751.00 96.91 MOL2 C ATOM 4325 O ALA C 1 −3.606 −57.740 −69.680 1.00 100.25MOL2 O ATOM 4326 N ALA C 1 −4.184 −56.198 −72.502 1.00 100.33 MOL2 NATOM 4327 CA ALA C 1 −4.380 −57.566 −71.940 1.00 99.91 MOL2 C ATOM 4328N ILE C 2 −2.129 −58.220 −71.315 1.00 89.04 MOL2 N ATOM 4329 CA ILE C 2−1.038 −58.535 −70.405 1.00 80.58 MOL2 C ATOM 4330 CB ILE C 2 0.301−58.522 −71.130 1.00 81.06 MOL2 C ATOM 4331 CG2 ILE C 2 1.248 −59.482−70.461 1.00 83.33 MOL2 C ATOM 4332 CG1 ILE C 2 0.122 −58.988 −72.5691.00 84.56 MOL2 C ATOM 4333 CD1 ILE C 2 −0.287 −60.430 −72.679 1.0091.18 MOL2 C ATOM 4334 C ILE C 2 −0.999 −57.491 −69.307 1.00 77.29 MOL2C ATOM 4335 O ILE C 2 −0.803 −56.316 −69.581 1.00 73.54 MOL2 O ATOM 4336N GLN C 3 −1.181 −57.929 −68.066 1.00 76.96 MOL2 N ATOM 4337 CA GLN C 3−1.199 −57.039 −66.911 1.00 79.39 MOL2 C ATOM 4338 CB GLN C 3 −2.445−57.357 −66.071 1.00 86.34 MOL2 C ATOM 4339 CG GLN C 3 −2.691 −56.471−64.849 1.00 99.34 MOL2 C ATOM 4340 CD GLN C 3 −3.626 −55.296 −65.1331.00 110.28 MOL2 C ATOM 4341 OE1 GLN C 3 −4.048 −54.590 −64.210 1.00112.13 MOL2 O ATOM 4342 NE2 GLN C 3 −3.953 −55.083 −66.411 1.00 111.21MOL2 N ATOM 4343 C GLN C 3 0.067 −57.203 −66.063 1.00 78.09 MOL2 C ATOM4344 O GLN C 3 0.296 −58.261 −65.481 1.00 79.09 MOL2 O ATOM 4345 N LEU C4 0.882 −56.155 −65.991 1.00 75.88 MOL2 N ATOM 4346 CA LEU C 4 2.117−56.200 −65.216 1.00 72.85 MOL2 C ATOM 4347 CB LEU C 4 3.166 −55.282−65.836 1.00 74.18 MOL2 C ATOM 4348 CG LEU C 4 3.469 −55.485 −67.3211.00 78.14 MOL2 C ATOM 4349 CD1 LEU C 4 4.755 −54.744 −67.666 1.00 82.52MOL2 C ATOM 4350 CD2 LEU C 4 3.609 −56.960 −67.633 1.00 71.94 MOL2 CATOM 4351 C LEU C 4 1.864 −55.772 −63.780 1.00 71.99 MOL2 C ATOM 4352 OLEU C 4 1.257 −54.734 −63.532 1.00 71.82 MOL2 O ATOM 4353 N THR C 52.358 −56.563 −62.835 1.00 71.36 MOL2 N ATOM 4354 CA THR C 5 2.151−56.267 −61.429 1.00 71.70 MOL2 C ATOM 4355 CB THR C 5 1.342 −57.383−60.759 1.00 79.04 MOL2 C ATOM 4356 OG1 THR C 5 0.251 −57.766 −61.6121.00 80.97 MOL2 O ATOM 4357 CG2 THR C 5 0.810 −56.912 −59.406 1.00 77.86MOL2 C ATOM 4358 C THR C 5 3.452 −56.113 −60.662 1.00 70.09 MOL2 C ATOM4359 O THR C 5 4.030 −57.097 −60.187 1.00 70.80 MOL2 O ATOM 4360 N GLN C6 3.912 −54.876 −60.536 1.00 67.35 MOL2 N ATOM 4361 CA GLN C 6 5.143−54.610 −59.807 1.00 67.62 MOL2 C ATOM 4362 CB GLN C 6 5.601 −53.173−60.032 1.00 65.55 MOL2 C ATOM 4363 CG GLN C 6 6.368 −52.978 −61.3231.00 67.75 MOL2 C ATOM 4364 CD GLN C 6 6.728 −51.530 −61.577 1.00 66.51MOL2 C ATOM 4365 OE1 GLN C 6 7.145 −50.820 −60.667 1.00 62.41 MOL2 OATOM 4366 NE2 GLN C 6 6.583 −51.089 −62.823 1.00 64.70 MOL2 N ATOM 4367C GLN C 6 4.902 −54.839 −58.333 1.00 69.96 MOL2 C ATOM 4368 O GLN C 63.760 −54.857 −57.889 1.00 74.54 MOL2 O ATOM 4369 N SER C 7 5.980−54.999 −57.573 1.00 71.78 MOL2 N ATOM 4370 CA SER C 7 5.879 −55.249−56.137 1.00 72.15 MOL2 C ATOM 4371 CB SER C 7 5.253 −56.625 −55.8951.00 80.15 MOL2 C ATOM 4372 OG SER C 7 5.884 −57.629 −56.687 1.00 87.70MOL2 O ATOM 4373 C SER C 7 7.253 −55.205 −55.491 1.00 68.10 MOL2 C ATOM4374 O SER C 7 8.187 −55.837 −55.963 1.00 72.62 MOL2 O ATOM 4375 N PRO C8 7.395 −54.462 −54.393 1.00 65.56 MOL2 N ATOM 4376 CD PRO C 8 8.704−54.188 −53.788 1.00 66.95 MOL2 C ATOM 4377 CA PRO C 8 6.363 −53.673−53.728 1.00 69.73 MOL2 C ATOM 4378 CB PRO C 8 7.080 −53.162 −52.4941.00 67.77 MOL2 C ATOM 4379 CG PRO C 8 8.434 −52.910 −53.015 1.00 63.16MOL2 C ATOM 4380 C PRO C 8 5.917 −52.528 −54.606 1.00 71.09 MOL2 C ATOM4381 O PRO C 8 6.499 −52.286 −55.653 1.00 76.45 MOL2 O ATOM 4382 N SER C9 4.887 −51.821 −54.171 1.00 70.48 MOL2 N ATOM 4383 CA SER C 9 4.393−50.692 −54.924 1.00 66.56 MOL2 C ATOM 4384 CB SER C 9 2.900 −50.513−54.663 1.00 68.50 MOL2 C ATOM 4385 OG SER C 9 2.302 −49.695 −55.6491.00 74.33 MOL2 O ATOM 4386 C SER C 9 5.187 −49.507 −54.396 1.00 65.19MOL2 C ATOM 4387 O SER C 9 5.474 −48.552 −55.107 1.00 66.87 MOL2 O ATOM4388 N SER C 10 5.548 −49.584 −53.127 1.00 63.71 MOL2 N ATOM 4389 CA SERC 10 6.332 −48.532 −52.511 1.00 63.51 MOL2 C ATOM 4390 CB SER C 10 5.446−47.646 −51.635 1.00 65.35 MOL2 C ATOM 4391 OG SER C 10 6.177 −46.533−51.147 1.00 70.90 MOL2 O ATOM 4392 C SER C 10 7.383 −49.243 −51.6711.00 61.83 MOL2 C ATOM 4393 O SER C 10 7.347 −50.469 −51.541 1.00 66.16MOL2 O ATOM 4394 N LEU C 11 8.326 −48.495 −51.113 1.00 52.84 MOL2 N ATOM4395 CA LEU C 11 9.349 −49.124 −50.298 1.00 51.69 MOL2 C ATOM 4396 CBLEU C 11 10.048 −50.220 −51.099 1.00 39.27 MOL2 C ATOM 4397 CG LEU C 1111.390 −49.797 −51.673 1.00 40.68 MOL2 C ATOM 4398 CD1 LEU C 11 12.440−49.932 −50.588 1.00 43.91 MOL2 C ATOM 4399 CD2 LEU C 11 11.747 −50.648−52.865 1.00 31.09 MOL2 C ATOM 4400 C LEU C 11 10.358 −48.085 −49.8541.00 54.60 MOL2 C ATOM 4401 O LEU C 11 10.791 −47.266 −50.656 1.00 52.95MOL2 O ATOM 4402 N SER C 12 10.726 −48.112 −48.576 1.00 62.06 MOL2 NATOM 4403 CA SER C 12 11.705 −47.153 −48.056 1.00 67.26 MOL2 C ATOM 4404CB SER C 12 11.246 −46.553 −46.718 1.00 73.13 MOL2 C ATOM 4405 OG SER C12 11.103 −47.546 −45.707 1.00 91.16 MOL2 O ATOM 4406 C SER C 12 13.040−47.856 −47.879 1.00 64.64 MOL2 C ATOM 4407 O SER C 12 13.093 −49.007−47.428 1.00 73.92 MOL2 O ATOM 4408 N ALA C 13 14.112 −47.160 −48.2391.00 52.40 MOL2 N ATOM 4409 CA ALA C 13 15.445 −47.715 −48.157 1.0048.17 MOL2 C ATOM 4410 CB ALA C 13 15.804 −48.349 −49.452 1.00 46.27MOL2 C ATOM 4411 C ALA C 13 16.430 −46.623 −47.855 1.00 53.29 MOL2 CATOM 4412 O ALA C 13 16.083 −45.442 −47.903 1.00 51.42 MOL2 O ATOM 4413N SER C 14 17.666 −47.023 −47.549 1.00 59.92 MOL2 N ATOM 4414 CA SER C14 18.748 −46.082 −47.236 1.00 62.56 MOL2 C ATOM 4415 CB SER C 14 19.305−46.332 −45.835 1.00 65.99 MOL2 C ATOM 4416 OG SER C 14 18.563 −45.634−44.850 1.00 77.69 MOL2 O ATOM 4417 C SER C 14 19.879 −46.222 −48.2291.00 60.39 MOL2 C ATOM 4418 O SER C 14 20.060 −47.286 −48.822 1.00 64.34MOL2 O ATOM 4419 N VAL C 15 20.645 −45.154 −48.410 1.00 56.47 MOL2 NATOM 4420 CA VAL C 15 21.752 −45.215 −49.346 1.00 55.09 MOL2 C ATOM 4421CB VAL C 15 22.651 −44.006 −49.225 1.00 55.42 MOL2 C ATOM 4422 CG1 VAL C15 23.957 −44.274 −49.958 1.00 52.75 MOL2 C ATOM 4423 CG2 VAL C 1521.951 −42.794 −49.795 1.00 50.64 MOL2 C ATOM 4424 C VAL C 15 22.595−46.456 −49.099 1.00 56.26 MOL2 C ATOM 4425 O VAL C 15 22.945 −46.773−47.959 1.00 60.65 MOL2 O ATOM 4426 N GLY C 16 22.911 −47.165 −50.1721.00 51.10 MOL2 N ATOM 4427 CA GLY C 16 23.709 −48.361 −50.034 1.0052.45 MOL2 C ATOM 4428 C GLY C 16 22.879 −49.619 −50.137 1.00 54.77 MOL2C ATOM 4429 O GLY C 16 23.300 −50.604 −50.759 1.00 58.98 MOL2 O ATOM4430 N ASP C 17 21.696 −49.598 −49.537 1.00 52.74 MOL2 N ATOM 4431 CAASP C 17 20.826 −50.772 −49.574 1.00 60.34 MOL2 C ATOM 4432 CB ASP C 1719.399 −50.404 −49.122 1.00 67.58 MOL2 C ATOM 4433 CG ASP C 17 19.315−50.057 −47.638 1.00 74.44 MOL2 C ATOM 4434 OD1 ASP C 17 18.195 −49.783−47.153 1.00 76.43 MOL2 O ATOM 4435 OD2 ASP C 17 20.364 −50.056 −46.9541.00 83.78 MOL2 O ATOM 4436 C ASP C 17 20.779 −51.431 −50.962 1.00 52.46MOL2 C ATOM 4437 O ASP C 17 21.097 −50.817 −51.965 1.00 49.08 MOL2 OATOM 4438 N ARG C 18 20.392 −52.694 −51.000 1.00 50.22 MOL2 N ATOM 4439CA ARG C 18 20.294 −53.411 −52.251 1.00 56.08 MOL2 C ATOM 4440 CB ARG C18 21.000 −54.765 −52.127 1.00 66.53 MOL2 C ATOM 4441 CG ARG C 18 21.162−55.544 −53.416 1.00 69.54 MOL2 C ATOM 4442 CD ARG C 18 22.473 −56.333−53.410 1.00 76.41 MOL2 C ATOM 4443 NE ARG C 18 22.607 −57.130 −54.6211.00 83.22 MOL2 N ATOM 4444 CZ ARG C 18 21.768 −58.106 −54.964 1.0090.00 MOL2 C ATOM 4445 NH1 ARG C 18 20.736 −58.411 −54.178 1.00 91.48MOL2 N ATOM 4446 NH2 ARG C 18 21.947 −58.762 −56.105 1.00 88.15 MOL2 NATOM 4447 C ARG C 18 18.809 −53.590 −52.541 1.00 59.14 MOL2 C ATOM 4448O ARG C 18 18.207 −54.619 −52.216 1.00 66.55 MOL2 O ATOM 4449 N VAL C 1918.227 −52.560 −53.143 1.00 53.91 MOL2 N ATOM 4450 CA VAL C 19 16.814−52.531 −53.500 1.00 48.82 MOL2 C ATOM 4451 CB VAL C 19 16.430 −51.116−54.008 1.00 49.90 MOL2 C ATOM 4452 CG1 VAL C 19 14.942 −50.897 −53.8961.00 55.27 MOL2 C ATOM 4453 CG2 VAL C 19 17.165 −50.067 −53.220 1.0044.57 MOL2 C ATOM 4454 C VAL C 19 16.490 −53.548 −54.599 1.00 46.40 MOL2C ATOM 4455 O VAL C 19 17.300 −53.790 −55.485 1.00 41.70 MOL2 O ATOM4456 N THR C 20 15.303 −54.138 −54.548 1.00 48.52 MOL2 N ATOM 4457 CATHR C 20 14.909 −55.111 −55.560 1.00 52.40 MOL2 C ATOM 4458 CB THR C 2015.237 −56.558 −55.100 1.00 56.67 MOL2 C ATOM 4459 OG1 THR C 20 16.636−56.668 −54.828 1.00 62.88 MOL2 O ATOM 4460 CG2 THR C 20 14.882 −57.565−56.176 1.00 59.26 MOL2 C ATOM 4461 C THR C 20 13.411 −54.992 −55.8551.00 55.76 MOL2 C ATOM 4462 O THR C 20 12.566 −55.195 −54.969 1.00 60.73MOL2 O ATOM 4463 N ILE C 21 13.102 −54.667 −57.109 1.00 49.17 MOL2 NATOM 4464 CA ILE C 21 11.736 −54.490 −57.585 1.00 44.82 MOL2 C ATOM 4465CB ILE C 21 11.641 −53.267 −58.516 1.00 42.78 MOL2 C ATOM 4466 CG2 ILE C21 10.197 −52.894 −58.750 1.00 42.89 MOL2 C ATOM 4467 CG1 ILE C 2112.416 −52.086 −57.923 1.00 40.47 MOL2 C ATOM 4468 CD1 ILE C 21 11.928−51.621 −56.613 1.00 29.96 MOL2 C ATOM 4469 C ILE C 21 11.384 −55.704−58.414 1.00 46.51 MOL2 C ATOM 4470 O ILE C 21 12.241 −56.245 −59.0861.00 49.54 MOL2 O ATOM 4471 N THR C 22 10.128 −56.121 −58.389 1.00 52.70MOL2 N ATOM 4472 CA THR C 22 9.705 −57.276 −59.164 1.00 56.36 MOL2 CATOM 4473 CB THR C 22 9.221 −58.386 −58.250 1.00 57.04 MOL2 C ATOM 4474OG1 THR C 22 10.014 −58.400 −57.054 1.00 57.35 MOL2 O ATOM 4475 CG2 THRC 22 9.335 −59.722 −58.962 1.00 61.74 MOL2 C ATOM 4476 C THR C 22 8.558−56.868 −60.070 1.00 62.56 MOL2 C ATOM 4477 O THR C 22 7.879 −55.877−59.806 1.00 67.37 MOL2 O ATOM 4478 N CYS C 23 8.324 −57.632 −61.1291.00 64.49 MOL2 N ATOM 4479 CA CYS C 23 7.249 −57.295 −62.046 1.00 69.63MOL2 C ATOM 4480 C CYS C 23 6.683 −58.549 −62.694 1.00 74.35 MOL2 C ATOM4481 O CYS C 23 7.028 −58.879 −63.825 1.00 79.68 MOL2 O ATOM 4482 CB CYSC 23 7.790 −56.321 −63.097 1.00 66.66 MOL2 C ATOM 4483 SG CYS C 23 6.755−55.921 −64.548 1.00 76.32 MOL2 S ATOM 4484 N ARG C 24 5.818 −59.252−61.965 1.00 78.76 MOL2 N ATOM 4485 CA ARG C 24 5.189 −60.471 −62.4761.00 84.17 MOL2 C ATOM 4486 CB ARG C 24 4.489 −61.236 −61.345 1.00 94.07MOL2 C ATOM 4487 CG ARG C 24 5.418 −62.065 −60.462 1.00 108.22 MOL2 CATOM 4488 CD ARG C 24 4.643 −62.860 −59.410 1.00 120.10 MOL2 C ATOM 4489NE ARG C 24 3.463 −63.534 −59.964 1.00 130.87 MOL2 N ATOM 4490 CZ ARG C24 2.741 −64.452 −59.318 1.00 135.36 MOL2 C ATOM 4491 NH1 ARG C 24 3.071−64.828 −58.086 1.00 135.50 MOL2 N ATOM 4492 NH2 ARG C 24 1.673 −64.987−59.900 1.00 136.70 MOL2 N ATOM 4493 C ARG C 24 4.162 −60.075 −63.5201.00 82.37 MOL2 C ATOM 4494 O ARG C 24 3.525 −59.035 −63.382 1.00 84.85MOL2 O ATOM 4495 N ALA C 25 3.984 −60.894 −64.554 1.00 80.09 MOL2 N ATOM4496 CA ALA C 25 3.022 −60.558 −65.597 1.00 81.28 MOL2 C ATOM 4497 CBALA C 25 3.750 −60.042 −66.804 1.00 74.63 MOL2 C ATOM 4498 C ALA C 252.054 −61.652 −66.029 1.00 85.27 MOL2 C ATOM 4499 O ALA C 25 2.420−62.815 −66.178 1.00 84.26 MOL2 O ATOM 4500 N ASP C 26 0.809 −61.232−66.234 1.00 93.13 MOL2 N ATOM 4501 CA ASP C 26 −0.307 −62.065 −66.6881.00 98.83 MOL2 C ATOM 4502 CB ASP C 26 −1.270 −61.153 −67.466 1.00106.45 MOL2 C ATOM 4503 CG ASP C 26 −2.373 −61.908 −68.180 1.00 115.95MOL2 C ATOM 4504 OD1 ASP C 26 −2.074 −62.825 −68.981 1.00 117.86 MOL2 OATOM 4505 OD2 ASP C 26 −3.552 −61.559 −67.950 1.00 122.70 MOL2 O ATOM4506 C ASP C 26 0.130 −63.258 −67.555 1.00 98.49 MOL2 C ATOM 4507 O ASPC 26 0.131 −64.404 −67.099 1.00 93.41 MOL2 O ATOM 4508 N GLU C 27 0.478−62.975 −68.810 1.00 100.98 MOL2 N ATOM 4509 CA GLU C 27 0.932 −63.998−69.754 1.00 102.53 MOL2 C ATOM 4510 CB GLU C 27 0.396 −63.738 −71.1701.00 109.48 MOL2 C ATOM 4511 CG GLU C 27 −1.094 −63.983 −71.392 1.00119.13 MOL2 C ATOM 4512 CD GLU C 27 −1.483 −63.922 −72.876 1.00 125.04MOL2 C ATOM 4513 OE1 GLU C 27 −2.697 −63.949 −73.180 1.00 127.79 MOL2 OATOM 4514 OE2 GLU C 27 −0.575 −63.855 −73.739 1.00 124.79 MOL2 O ATOM4515 C GLU C 27 2.459 −64.012 −69.822 1.00 99.74 MOL2 C ATOM 4516 O GLUC 27 3.138 −63.575 −68.893 1.00 98.01 MOL2 O ATOM 4517 N SER C 28 2.989−64.510 −70.935 1.00 98.17 MOL2 N ATOM 4518 CA SER C 28 4.435 −64.589−71.142 1.00 96.89 MOL2 C ATOM 4519 CB SER C 28 4.820 −65.977 −71.6851.00 101.41 MOL2 C ATOM 4520 OG SER C 28 6.224 −66.108 −71.880 1.0099.08 MOL2 O ATOM 4521 C SER C 28 4.905 −63.509 −72.114 1.00 92.54 MOL2C ATOM 4522 O SER C 28 4.276 −63.285 −73.147 1.00 94.50 MOL2 O ATOM 4523N VAL C 29 6.017 −62.853 −71.787 1.00 85.57 MOL2 N ATOM 4524 CA VAL C 296.566 −61.793 −72.633 1.00 78.41 MOL2 C ATOM 4525 CB VAL C 29 6.654−60.478 −71.864 1.00 74.78 MOL2 C ATOM 4526 CG1 VAL C 29 5.342 −59.741−71.938 1.00 74.79 MOL2 C ATOM 4527 CG2 VAL C 29 6.994 −60.764 −70.4231.00 74.97 MOL2 C ATOM 4528 C VAL C 29 7.947 −62.083 −73.208 1.00 74.63MOL2 C ATOM 4529 O VAL C 29 8.374 −61.415 −74.144 1.00 74.56 MOL2 O ATOM4530 N THR C 30 8.638 −63.066 −72.640 1.00 69.19 MOL2 N ATOM 4531 CA THRC 30 9.972 −63.457 −73.093 1.00 65.75 MOL2 C ATOM 4532 CB THR C 30 9.957−64.420 −74.307 1.00 66.75 MOL2 C ATOM 4533 OG1 THR C 30 9.099 −63.893−75.332 1.00 50.46 MOL2 O ATOM 4534 CG2 THR C 30 9.543 −65.835 −73.8851.00 73.47 MOL2 C ATOM 4535 C THR C 30 10.876 −62.338 −73.525 1.00 64.89MOL2 C ATOM 4536 O THR C 30 10.728 −61.798 −74.614 1.00 71.06 MOL2 OATOM 4537 N THR C 31 11.831 −62.005 −72.681 1.00 59.01 MOL2 N ATOM 4538CA THR C 31 12.806 −60.981 −73.012 1.00 56.53 MOL2 C ATOM 4539 CB THR C31 13.746 −61.468 −74.127 1.00 53.95 MOL2 C ATOM 4540 OG1 THR C 3113.024 −61.599 −75.354 1.00 46.97 MOL2 O ATOM 4541 CG2 THR C 31 14.329−62.811 −73.768 1.00 62.15 MOL2 C ATOM 4542 C THR C 31 12.302 −59.604−73.407 1.00 55.57 MOL2 C ATOM 4543 O THR C 31 13.057 −58.634 −73.3361.00 60.99 MOL2 O ATOM 4544 N LEU C 32 11.048 −59.491 −73.824 1.00 50.80MOL2 N ATOM 4545 CA LEU C 32 10.557 −58.186 −74.212 1.00 49.27 MOL2 CATOM 4546 CB LEU C 32 9.485 −58.314 −75.279 1.00 53.74 MOL2 C ATOM 4547CG LEU C 32 10.003 −58.972 −76.558 1.00 61.51 MOL2 C ATOM 4548 CD1 LEU C32 9.155 −58.525 −77.738 1.00 67.47 MOL2 C ATOM 4549 CD2 LEU C 32 11.444−58.577 −76.788 1.00 63.08 MOL2 C ATOM 4550 C LEU C 32 10.040 −57.369−73.044 1.00 49.73 MOL2 C ATOM 4551 O LEU C 32 8.990 −56.741 −73.1401.00 53.91 MOL2 O ATOM 4552 N MET C 33 10.778 −57.389 −71.936 1.00 48.21MOL2 N ATOM 4553 CA MET C 33 10.417 −56.605 −70.753 1.00 50.67 MOL2 CATOM 4554 CB MET C 33 10.471 −57.448 −69.475 1.00 53.72 MOL2 C ATOM 4555CG MET C 33 10.063 −56.693 −68.203 1.00 63.35 MOL2 C ATOM 4556 SD MET C33 8.298 −56.232 −68.136 1.00 80.08 MOL2 S ATOM 4557 CE MET C 33 7.649−57.505 −67.077 1.00 69.12 MOL2 C ATOM 4558 C MET C 33 11.442 −55.471−70.682 1.00 47.74 MOL2 C ATOM 4559 O MET C 33 12.608 −55.670 −71.0091.00 47.46 MOL2 O ATOM 4560 N HIS C 34 11.011 −54.288 −70.260 1.00 40.67MOL2 N ATOM 4561 CA HIS C 34 11.898 −53.144 −70.218 1.00 40.47 MOL2 CATOM 4562 CB HIS C 34 11.587 −52.252 −71.406 1.00 42.10 MOL2 C ATOM 4563CG HIS C 34 11.337 −53.010 −72.672 1.00 43.49 MOL2 C ATOM 4564 CD2 HIS C34 10.320 −52.950 −73.561 1.00 46.48 MOL2 C ATOM 4565 ND1 HIS C 3412.214 −53.955 −73.158 1.00 47.32 MOL2 N ATOM 4566 CE1 HIS C 34 11.751−54.440 −74.295 1.00 48.54 MOL2 C ATOM 4567 NE2 HIS C 34 10.603 −53.846−74.563 1.00 48.33 MOL2 N ATOM 4568 C HIS C 34 11.686 −52.378 −68.9431.00 42.71 MOL2 C ATOM 4569 O HIS C 34 10.658 −52.557 −68.311 1.00 55.61MOL2 O ATOM 4570 N TRP C 35 12.638 −51.525 −68.563 1.00 36.83 MOL2 NATOM 4571 CA TRP C 35 12.502 −50.747 −67.333 1.00 39.88 MOL2 C ATOM 4572CB TRP C 35 13.483 −51.223 −66.255 1.00 40.79 MOL2 C ATOM 4573 CG TRP C35 13.136 −52.538 −65.657 1.00 43.11 MOL2 C ATOM 4574 CD2 TRP C 3512.300 −52.765 −64.523 1.00 40.24 MOL2 C ATOM 4575 CE2 TRP C 35 12.155−54.154 −64.383 1.00 42.15 MOL2 C ATOM 4576 CE3 TRP C 35 11.659 −51.928−63.617 1.00 43.55 MOL2 C ATOM 4577 CD1 TRP C 35 13.463 −53.769 −66.1411.00 46.19 MOL2 C ATOM 4578 NE1 TRP C 35 12.877 −54.746 −65.384 1.0047.19 MOL2 N ATOM 4579 CZ2 TRP C 35 11.395 −54.724 −63.376 1.00 38.68MOL2 C ATOM 4580 CZ3 TRP C 35 10.909 −52.496 −62.618 1.00 46.45 MOL2 CATOM 4581 CH2 TRP C 35 10.782 −53.881 −62.505 1.00 42.43 MOL2 C ATOM4582 C TRP C 35 12.753 −49.277 −67.559 1.00 39.85 MOL2 C ATOM 4583 O TRPC 35 13.663 −48.920 −68.283 1.00 42.09 MOL2 O ATOM 4584 N TYR C 3611.950 −48.426 −66.928 1.00 37.19 MOL2 N ATOM 4585 CA TYR C 36 12.119−46.983 −67.037 1.00 27.89 MOL2 C ATOM 4586 CB TYR C 36 10.974 −46.322−67.781 1.00 21.99 MOL2 C ATOM 4587 CG TYR C 36 10.741 −46.813 −69.1731.00 24.18 MOL2 C ATOM 4588 CD1 TYR C 36 11.354 −46.196 −70.255 1.0024.27 MOL2 C ATOM 4589 CE1 TYR C 36 11.139 −46.651 −71.552 1.00 32.32MOL2 C ATOM 4590 CD2 TYR C 36 9.903 −47.901 −69.412 1.00 23.69 MOL2 CATOM 4591 CE2 TYR C 36 9.682 −48.366 −70.693 1.00 29.24 MOL2 C ATOM 4592CZ TYR C 36 10.303 −47.739 −71.763 1.00 38.05 MOL2 C ATOM 4593 OH TYR C36 10.100 −48.207 −73.047 1.00 47.12 MOL2 O ATOM 4594 C TYR C 36 12.129−46.424 −65.636 1.00 32.00 MOL2 C ATOM 4595 O TYR C 36 11.612 −47.035−64.692 1.00 37.85 MOL2 O ATOM 4596 N GLN C 37 12.693 −45.236 −65.5171.00 30.14 MOL2 N ATOM 4597 CA GLN C 37 12.802 −44.566 −64.242 1.0033.69 MOL2 C ATOM 4598 CB GLN C 37 14.281 −44.370 −63.910 1.00 25.67MOL2 C ATOM 4599 CG GLN C 37 14.536 −43.723 −62.571 1.00 29.66 MOL2 CATOM 4600 CD GLN C 37 15.789 −42.877 −62.577 1.00 36.17 MOL2 C ATOM 4601OE1 GLN C 37 16.014 −42.092 −63.498 1.00 42.76 MOL2 O ATOM 4602 NE2 GLNC 37 16.609 −43.021 −61.545 1.00 34.38 MOL2 N ATOM 4603 C GLN C 3712.146 −43.214 −64.399 1.00 38.79 MOL2 C ATOM 4604 O GLN C 37 12.240−42.619 −65.457 1.00 45.43 MOL2 O ATOM 4605 N GLN C 38 11.476 −42.722−63.364 1.00 43.55 MOL2 N ATOM 4606 CA GLN C 38 10.872 −41.403 −63.4581.00 43.76 MOL2 C ATOM 4607 CB GLN C 38 9.425 −41.507 −63.883 1.00 42.79MOL2 C ATOM 4608 CG GLN C 38 8.736 −40.175 −63.802 1.00 46.09 MOL2 CATOM 4609 CD GLN C 38 7.317 −40.260 −64.245 1.00 51.40 MOL2 C ATOM 4610OE1 GLN C 38 7.016 −40.096 −65.424 1.00 49.67 MOL2 O ATOM 4611 NE2 GLN C38 6.421 −40.544 −63.300 1.00 57.58 MOL2 N ATOM 4612 C GLN C 38 10.949−40.638 −62.151 1.00 44.98 MOL2 C ATOM 4613 O GLN C 38 10.431 −41.092−61.135 1.00 51.29 MOL2 O ATOM 4614 N LYS C 39 11.607 −39.484 −62.1731.00 43.36 MOL2 N ATOM 4615 CA LYS C 39 11.731 −38.667 −60.976 1.0046.56 MOL2 C ATOM 4616 CB LYS C 39 12.956 −37.760 −61.063 1.00 45.39MOL2 C ATOM 4617 CG LYS C 39 14.272 −38.457 −61.390 1.00 52.65 MOL2 CATOM 4618 CD LYS C 39 15.021 −38.933 −60.154 1.00 57.23 MOL2 C ATOM 4619CE LYS C 39 16.433 −39.450 −60.494 1.00 62.86 MOL2 C ATOM 4620 NZ LYS C39 17.409 −38.418 −61.000 1.00 63.36 MOL2 N ATOM 4621 C LYS C 39 10.479−37.811 −60.953 1.00 56.54 MOL2 C ATOM 4622 O LYS C 39 9.767 −37.725−61.948 1.00 60.11 MOL2 O ATOM 4623 N PRO C 40 10.193 −37.159 −59.8221.00 64.58 MOL2 N ATOM 4624 CD PRO C 40 10.918 −37.199 −58.542 1.0067.05 MOL2 C ATOM 4625 CA PRO C 40 8.999 −36.314 −59.725 1.00 65.12 MOL2C ATOM 4626 CB PRO C 40 8.982 −35.905 −58.253 1.00 65.24 MOL2 C ATOM4627 CG PRO C 40 9.807 −36.975 −57.570 1.00 71.18 MOL2 C ATOM 4628 C PROC 40 9.117 −35.100 −60.637 1.00 66.71 MOL2 C ATOM 4629 O PRO C 40 10.122−34.373 −60.581 1.00 63.72 MOL2 O ATOM 4630 N GLY C 41 8.107 −34.893−61.482 1.00 65.67 MOL2 N ATOM 4631 CA GLY C 41 8.118 −33.736 −62.3571.00 69.19 MOL2 C ATOM 4632 C GLY C 41 8.714 −33.932 −63.732 1.00 68.06MOL2 C ATOM 4633 O GLY C 41 8.240 −33.348 −64.704 1.00 74.22 MOL2 O ATOM4634 N LYS C 42 9.762 −34.735 −63.823 1.00 64.19 MOL2 N ATOM 4635 CA LYSC 42 10.391 −34.989 −65.105 1.00 61.08 MOL2 C ATOM 4636 CB LYS C 4211.882 −35.254 −64.882 1.00 69.82 MOL2 C ATOM 4637 CG LYS C 42 12.633−34.071 −64.233 1.00 79.68 MOL2 C ATOM 4638 CD LYS C 42 13.192 −33.060−65.260 1.00 98.35 MOL2 C ATOM 4639 CE LYS C 42 14.349 −33.664 −66.1041.00 110.67 MOL2 C ATOM 4640 NZ LYS C 42 14.865 −32.795 −67.225 1.00109.90 MOL2 N ATOM 4641 C LYS C 42 9.688 −36.164 −65.814 1.00 56.57 MOL2C ATOM 4642 O LYS C 42 8.760 −36.766 −65.262 1.00 54.63 MOL2 O ATOM 4643N ALA C 43 10.112 −36.483 −67.033 1.00 51.70 MOL2 N ATOM 4644 CA ALA C43 9.483 −37.561 −67.800 1.00 49.89 MOL2 C ATOM 4645 CB ALA C 43 9.429−37.170 −69.249 1.00 52.86 MOL2 C ATOM 4646 C ALA C 43 10.219 −38.879−67.655 1.00 46.72 MOL2 C ATOM 4647 O ALA C 43 11.384 −38.896 −67.2811.00 47.15 MOL2 O ATOM 4648 N PRO C 44 9.558 −40.001 −67.978 1.00 44.39MOL2 N ATOM 4649 CD PRO C 44 8.268 −40.126 −68.664 1.00 45.41 MOL2 CATOM 4650 CA PRO C 44 10.202 −41.314 −67.862 1.00 44.83 MOL2 C ATOM 4651CB PRO C 44 9.251 −42.245 −68.598 1.00 45.87 MOL2 C ATOM 4652 CG PRO C44 7.938 −41.584 −68.419 1.00 52.20 MOL2 C ATOM 4653 C PRO C 44 11.546−41.275 −68.537 1.00 45.42 MOL2 C ATOM 4654 O PRO C 44 11.802 −40.387−69.348 1.00 52.33 MOL2 O ATOM 4655 N LYS C 45 12.405 −42.226 −68.1921.00 45.13 MOL2 N ATOM 4656 CA LYS C 45 13.742 −42.345 −68.786 1.0041.81 MOL2 C ATOM 4657 CB LYS C 45 14.806 −41.625 −67.964 1.00 39.22MOL2 C ATOM 4658 CG LYS C 45 16.236 −42.071 −68.266 1.00 54.90 MOL2 CATOM 4659 CD LYS C 45 17.180 −41.630 −67.110 1.00 72.09 MOL2 C ATOM 4660CE LYS C 45 18.593 −42.278 −67.122 1.00 70.55 MOL2 C ATOM 4661 NZ LYS C45 19.291 −42.128 −65.784 1.00 65.65 MOL2 N ATOM 4662 C LYS C 45 14.052−43.822 −68.837 1.00 38.66 MOL2 C ATOM 4663 O LYS C 45 13.894 −44.542−67.854 1.00 45.87 MOL2 O ATOM 4664 N LEU C 46 14.476 −44.286 −69.9951.00 36.14 MOL2 N ATOM 4665 CA LEU C 46 14.766 −45.698 −70.150 1.0034.95 MOL2 C ATOM 4666 CB LEU C 46 15.023 −46.025 −71.621 1.00 28.39MOL2 C ATOM 4667 CG LEU C 46 15.497 −47.425 −71.985 1.00 23.94 MOL2 CATOM 4668 CD1 LEU C 46 14.636 −48.437 −71.328 1.00 28.01 MOL2 C ATOM4669 CD2 LEU C 46 15.437 −47.614 −73.474 1.00 23.58 MOL2 C ATOM 4670 CLEU C 46 15.960 −46.108 −69.322 1.00 39.09 MOL2 C ATOM 4671 O LEU C 4616.989 −45.429 −69.321 1.00 43.63 MOL2 O ATOM 4672 N LEU C 47 15.807−47.213 −68.598 1.00 40.04 MOL2 N ATOM 4673 CA LEU C 47 16.880 −47.746−67.773 1.00 36.49 MOL2 C ATOM 4674 CB LEU C 47 16.400 −48.074 −66.3641.00 35.32 MOL2 C ATOM 4675 CG LEU C 47 16.526 −46.945 −65.348 1.0045.46 MOL2 C ATOM 4676 CD1 LEU C 47 16.039 −47.403 −64.004 1.00 49.22MOL2 C ATOM 4677 CD2 LEU C 47 17.964 −46.526 −65.240 1.00 52.10 MOL2 CATOM 4678 C LEU C 47 17.418 −49.009 −68.390 1.00 37.87 MOL2 C ATOM 4679O LEU C 47 18.606 −49.117 −68.623 1.00 44.63 MOL2 O ATOM 4680 N ILE C 4816.537 −49.958 −68.679 1.00 36.23 MOL2 N ATOM 4681 CA ILE C 48 16.961−51.235 −69.225 1.00 32.84 MOL2 C ATOM 4682 CB ILE C 48 17.074 −52.258−68.070 1.00 34.34 MOL2 C ATOM 4683 CG2 ILE C 48 17.200 −53.672 −68.5861.00 25.98 MOL2 C ATOM 4684 CG1 ILE C 48 18.268 −51.897 −67.194 1.0036.96 MOL2 C ATOM 4685 CD1 ILE C 48 18.229 −52.512 −65.823 1.00 36.19MOL2 C ATOM 4686 C ILE C 48 16.022 −51.786 −70.281 1.00 35.44 MOL2 CATOM 4687 O ILE C 48 14.815 −51.818 −70.072 1.00 39.59 MOL2 O ATOM 4688N TYR C 49 16.581 −52.215 −71.413 1.00 36.31 MOL2 N ATOM 4689 CA TYR C49 15.797 −52.813 −72.493 1.00 37.52 MOL2 C ATOM 4690 CB TYR C 49 16.081−52.165 −73.852 1.00 37.22 MOL2 C ATOM 4691 CG TYR C 49 17.514 −52.236−74.361 1.00 38.82 MOL2 C ATOM 4692 CD1 TYR C 49 18.494 −51.433 −73.8111.00 43.57 MOL2 C ATOM 4693 CE1 TYR C 49 19.759 −51.371 −74.352 1.0036.43 MOL2 C ATOM 4694 CD2 TYR C 49 17.855 −53.005 −75.477 1.00 37.22MOL2 C ATOM 4695 CE2 TYR C 49 19.127 −52.949 −76.032 1.00 24.31 MOL2 CATOM 4696 CZ TYR C 49 20.066 −52.122 −75.456 1.00 35.68 MOL2 C ATOM 4697OH TYR C 49 21.329 −51.997 −75.967 1.00 46.18 MOL2 O ATOM 4698 C TYR C49 16.075 −54.302 −72.619 1.00 42.30 MOL2 C ATOM 4699 O TYR C 49 17.075−54.808 −72.109 1.00 45.94 MOL2 O ATOM 4700 N LEU C 50 15.197 −54.999−73.332 1.00 41.35 MOL2 N ATOM 4701 CA LEU C 50 15.333 −56.434 −73.5041.00 37.64 MOL2 C ATOM 4702 CB LEU C 50 16.309 −56.760 −74.619 1.0041.43 MOL2 C ATOM 4703 CG LEU C 50 15.801 −56.897 −76.060 1.00 49.42MOL2 C ATOM 4704 CD1 LEU C 50 14.353 −57.366 −76.092 1.00 43.83 MOL2 CATOM 4705 CD2 LEU C 50 15.953 −55.576 −76.752 1.00 49.87 MOL2 C ATOM4706 C LEU C 50 15.803 −57.131 −72.232 1.00 38.81 MOL2 C ATOM 4707 O LEUC 50 16.858 −57.741 −72.204 1.00 39.05 MOL2 O ATOM 4708 N VAL C 5115.011 −57.008 −71.179 1.00 39.86 MOL2 N ATOM 4709 CA VAL C 51 15.264−57.635 −69.890 1.00 41.18 MOL2 C ATOM 4710 CB VAL C 51 15.333 −59.142−69.983 1.00 40.58 MOL2 C ATOM 4711 CG1 VAL C 51 15.210 −59.724 −68.5981.00 38.71 MOL2 C ATOM 4712 CG2 VAL C 51 14.249 −59.650 −70.861 1.0040.41 MOL2 C ATOM 4713 C VAL C 51 16.455 −57.249 −69.062 1.00 44.87 MOL2C ATOM 4714 O VAL C 51 16.310 −57.004 −67.863 1.00 52.89 MOL2 O ATOM4715 N SER C 52 17.642 −57.226 −69.643 1.00 42.94 MOL2 N ATOM 4716 CASER C 52 18.771 −56.866 −68.802 1.00 46.98 MOL2 C ATOM 4717 CB SER C 5219.354 −58.118 −68.139 1.00 42.72 MOL2 C ATOM 4718 OG SER C 52 19.474−59.178 −69.066 1.00 55.45 MOL2 O ATOM 4719 C SER C 52 19.877 −56.021−69.407 1.00 44.33 MOL2 C ATOM 4720 O SER C 52 20.949 −55.910 −68.8381.00 50.11 MOL2 O ATOM 4721 N ASN C 53 19.610 −55.395 −70.540 1.00 42.65MOL2 N ATOM 4722 CA ASN C 53 20.604 −54.541 −71.167 1.00 41.62 MOL2 CATOM 4723 CB ASN C 53 20.452 −54.611 −72.673 1.00 42.75 MOL2 C ATOM 4724CG ASN C 53 20.612 −55.998 −73.197 1.00 47.39 MOL2 C ATOM 4725 OD1 ASN C53 19.685 −56.801 −73.166 1.00 52.81 MOL2 O ATOM 4726 ND2 ASN C 5321.808 −56.304 −73.673 1.00 56.43 MOL2 N ATOM 4727 C ASN C 53 20.395−53.103 −70.717 1.00 44.00 MOL2 C ATOM 4728 O ASN C 53 19.272 −52.606−70.749 1.00 48.58 MOL2 O ATOM 4729 N ARG C 54 21.450 −52.407 −70.3151.00 42.36 MOL2 N ATOM 4730 CA ARG C 54 21.223 −51.036 −69.888 1.0046.77 MOL2 C ATOM 4731 CB ARG C 54 21.966 −50.745 −68.565 1.00 54.04MOL2 C ATOM 4732 CG ARG C 54 23.437 −50.361 −68.636 1.00 62.65 MOL2 CATOM 4733 CD ARG C 54 23.970 −50.206 −67.220 1.00 53.90 MOL2 C ATOM 4734NE ARG C 54 23.905 −51.481 −66.516 1.00 64.24 MOL2 N ATOM 4735 CZ ARG C54 24.889 −52.375 −66.504 1.00 71.05 MOL2 C ATOM 4736 NH1 ARG C 5426.019 −52.120 −67.153 1.00 76.78 MOL2 N ATOM 4737 NH2 ARG C 54 24.740−53.531 −65.866 1.00 71.08 MOL2 N ATOM 4738 C ARG C 54 21.524 −49.998−70.965 1.00 44.55 MOL2 C ATOM 4739 O ARG C 54 22.327 −50.238 −71.8571.00 42.06 MOL2 O ATOM 4740 N GLU C 55 20.830 −48.861 −70.908 1.00 49.25MOL2 N ATOM 4741 CA GLU C 55 21.039 −47.799 −71.892 1.00 52.24 MOL2 CATOM 4742 CB GLU C 55 20.008 −46.681 −71.769 1.00 55.16 MOL2 C ATOM 4743CG GLU C 55 18.911 −46.718 −72.816 1.00 64.00 MOL2 C ATOM 4744 CD GLU C55 19.397 −46.306 −74.186 1.00 66.72 MOL2 C ATOM 4745 OE1 GLU C 5520.377 −46.908 −74.668 1.00 73.90 MOL2 O ATOM 4746 OE2 GLU C 55 18.798−45.381 −74.778 1.00 64.41 MOL2 O ATOM 4747 C GLU C 55 22.396 −47.231−71.632 1.00 54.17 MOL2 C ATOM 4748 O GLU C 55 22.987 −47.496 −70.5861.00 52.51 MOL2 O ATOM 4749 N SER C 56 22.880 −46.432 −72.573 1.00 56.90MOL2 N ATOM 4750 CA SER C 56 24.205 −45.836 −72.467 1.00 60.81 MOL2 CATOM 4751 CB SER C 56 24.390 −44.785 −73.554 1.00 59.03 MOL2 C ATOM 4752OG SER C 56 24.195 −45.359 −74.842 1.00 66.73 MOL2 O ATOM 4753 C SER C56 24.523 −45.225 −71.106 1.00 65.30 MOL2 C ATOM 4754 O SER C 56 25.388−45.709 −70.372 1.00 71.47 MOL2 O ATOM 4755 N GLY C 57 23.827 −44.161−70.753 1.00 65.57 MOL2 N ATOM 4756 CA GLY C 57 24.110 −43.535 −69.4731.00 62.49 MOL2 C ATOM 4757 C GLY C 57 23.886 −44.364 −68.219 1.00 55.75MOL2 C ATOM 4758 O GLY C 57 24.646 −44.243 −67.272 1.00 57.46 MOL2 OATOM 4759 N VAL C 58 22.852 −45.201 −68.214 1.00 51.16 MOL2 N ATOM 4760CA VAL C 58 22.507 −46.016 −67.057 1.00 45.06 MOL2 C ATOM 4761 CB VAL C58 21.632 −47.208 −67.461 1.00 43.86 MOL2 C ATOM 4762 CG1 VAL C 5820.912 −47.749 −66.253 1.00 45.32 MOL2 C ATOM 4763 CG2 VAL C 58 20.642−46.801 −68.498 1.00 39.41 MOL2 C ATOM 4764 C VAL C 58 23.735 −46.551−66.334 1.00 48.33 MOL2 C ATOM 4765 O VAL C 58 24.558 −47.247 −66.9311.00 45.45 MOL2 O ATOM 4766 N PRO C 59 23.867 −46.231 −65.032 1.00 48.70MOL2 N ATOM 4767 CD PRO C 59 23.066 −45.215 −64.334 1.00 59.59 MOL2 CATOM 4768 CA PRO C 59 24.972 −46.646 −64.181 1.00 45.60 MOL2 C ATOM 4769CB PRO C 59 24.665 −45.977 −62.858 1.00 47.98 MOL2 C ATOM 4770 CG PRO C59 24.041 −44.724 −63.272 1.00 56.22 MOL2 C ATOM 4771 C PRO C 59 25.117−48.125 −64.043 1.00 51.02 MOL2 C ATOM 4772 O PRO C 59 24.229 −48.900−64.364 1.00 53.55 MOL2 O ATOM 4773 N SER C 60 26.273 −48.498 −63.5291.00 63.15 MOL2 N ATOM 4774 CA SER C 60 26.636 −49.887 −63.343 1.0064.70 MOL2 C ATOM 4775 CB SER C 60 28.107 −49.966 −62.869 1.00 76.08MOL2 C ATOM 4776 OG SER C 60 28.963 −49.038 −63.554 1.00 76.30 MOL2 OATOM 4777 C SER C 60 25.705 −50.637 −62.374 1.00 60.32 MOL2 C ATOM 4778O SER C 60 25.409 −51.807 −62.610 1.00 61.45 MOL2 O ATOM 4779 N ARG C 6125.238 −49.969 −61.310 1.00 49.31 MOL2 N ATOM 4780 CA ARG C 61 24.365−50.590 −60.305 1.00 43.23 MOL2 C ATOM 4781 CB ARG C 61 24.115 −49.612−59.147 1.00 35.46 MOL2 C ATOM 4782 CG ARG C 61 24.043 −48.138 −59.5421.00 42.58 MOL2 C ATOM 4783 CD ARG C 61 23.830 −47.195 −58.337 1.0037.38 MOL2 C ATOM 4784 NE ARG C 61 23.442 −45.821 −58.702 1.00 36.31MOL2 N ATOM 4785 CZ ARG C 61 24.218 −44.943 −59.338 1.00 43.03 MOL2 CATOM 4786 NH1 ARG C 61 25.449 −45.269 −59.703 1.00 54.77 MOL2 N ATOM4787 NH2 ARG C 61 23.772 −43.724 −59.606 1.00 45.96 MOL2 N ATOM 4788 CARG C 61 23.027 −51.186 −60.763 1.00 44.64 MOL2 C ATOM 4789 O ARG C 6122.603 −52.226 −60.266 1.00 49.46 MOL2 O ATOM 4790 N PHE C 62 22.362−50.552 −61.715 1.00 42.85 MOL2 N ATOM 4791 CA PHE C 62 21.078 −51.060−62.185 1.00 41.55 MOL2 C ATOM 4792 CB PHE C 62 20.400 −50.000 −63.0341.00 32.24 MOL2 C ATOM 4793 CG PHE C 62 20.092 −48.753 −62.282 1.0033.23 MOL2 C ATOM 4794 CD1 PHE C 62 18.952 −48.661 −61.510 1.00 30.43MOL2 C ATOM 4795 CD2 PHE C 62 20.975 −47.691 −62.291 1.00 34.55 MOL2 CATOM 4796 CE1 PHE C 62 18.697 −47.539 −60.760 1.00 31.63 MOL2 C ATOM4797 CE2 PHE C 62 20.723 −46.566 −61.541 1.00 35.40 MOL2 C ATOM 4798 CZPHE C 62 19.578 −46.493 −60.771 1.00 35.12 MOL2 C ATOM 4799 C PHE C 6221.214 −52.333 −62.997 1.00 46.01 MOL2 C ATOM 4800 O PHE C 62 21.980−52.367 −63.942 1.00 54.58 MOL2 O ATOM 4801 N SER C 63 20.464 −53.376−62.652 1.00 48.82 MOL2 N ATOM 4802 CA SER C 63 20.531 −54.624 −63.4071.00 47.97 MOL2 C ATOM 4803 CB SER C 63 21.560 −55.551 −62.776 1.0055.17 MOL2 C ATOM 4804 OG SER C 63 21.678 −55.300 −61.382 1.00 63.54MOL2 O ATOM 4805 C SER C 63 19.182 −55.322 −63.505 1.00 49.62 MOL2 CATOM 4806 O SER C 63 18.454 −55.438 −62.520 1.00 51.38 MOL2 O ATOM 4807N GLY C 64 18.848 −55.781 −64.704 1.00 52.59 MOL2 N ATOM 4808 CA GLY C64 17.582 −56.462 −64.913 1.00 56.43 MOL2 C ATOM 4809 C GLY C 64 17.784−57.957 −64.878 1.00 58.12 MOL2 C ATOM 4810 O GLY C 64 18.905 −58.405−64.691 1.00 61.31 MOL2 O ATOM 4811 N SER C 65 16.712 −58.727 −65.0441.00 61.30 MOL2 N ATOM 4812 CA SER C 65 16.789 −60.191 −65.035 1.0063.04 MOL2 C ATOM 4813 CB SER C 65 17.555 −60.696 −63.808 1.00 60.37MOL2 C ATOM 4814 OG SER C 65 17.103 −60.090 −62.615 1.00 64.71 MOL2 OATOM 4815 C SER C 65 15.413 −60.829 −65.063 1.00 65.22 MOL2 C ATOM 4816O SER C 65 14.523 −60.420 −64.321 1.00 69.55 MOL2 O ATOM 4817 N GLY C 6615.230 −61.834 −65.914 1.00 65.22 MOL2 N ATOM 4818 CA GLY C 66 13.926−62.458 −65.973 1.00 73.68 MOL2 C ATOM 4819 C GLY C 66 13.676 −63.480−67.062 1.00 81.66 MOL2 C ATOM 4820 O GLY C 66 14.391 −63.551 −68.0691.00 79.94 MOL2 O ATOM 4821 N SER C 67 12.627 −64.272 −66.844 1.00 89.51MOL2 N ATOM 4822 CA SER C 67 12.224 −65.331 −67.764 1.00 93.54 MOL2 CATOM 4823 CB SER C 67 11.482 −66.435 −67.005 1.00 93.70 MOL2 C ATOM 4824OG SER C 67 10.333 −65.914 −66.356 1.00 92.11 MOL2 O ATOM 4825 C SER C67 11.321 −64.782 −68.845 1.00 94.61 MOL2 C ATOM 4826 O SER C 67 11.796−64.237 −69.844 1.00 95.58 MOL2 O ATOM 4827 N GLY C 68 10.016 −64.937−68.628 1.00 95.23 MOL2 N ATOM 4828 CA GLY C 68 9.020 −64.463 −69.5741.00 96.12 MOL2 C ATOM 4829 C GLY C 68 7.683 −64.269 −68.886 1.00 96.00MOL2 C ATOM 4830 O GLY C 68 6.660 −64.056 −69.537 1.00 96.37 MOL2 O ATOM4831 N THR C 69 7.704 −64.344 −67.557 1.00 95.68 MOL2 N ATOM 4832 CA THRC 69 6.507 −64.179 −66.737 1.00 91.12 MOL2 C ATOM 4833 CB THR C 69 5.919−65.537 −66.335 1.00 90.68 MOL2 C ATOM 4834 OG1 THR C 69 4.901 −65.339−65.349 1.00 89.39 MOL2 O ATOM 4835 CG2 THR C 69 7.010 −66.443 −65.7701.00 93.08 MOL2 C ATOM 4836 C THR C 69 6.844 −63.395 −65.472 1.00 88.46MOL2 C ATOM 4837 O THR C 69 6.030 −62.616 −64.979 1.00 85.81 MOL2 O ATOM4838 N ASP C 70 8.046 −63.612 −64.946 1.00 88.12 MOL2 N ATOM 4839 CA ASPC 70 8.500 −62.905 −63.752 1.00 85.65 MOL2 C ATOM 4840 CB ASP C 70 8.708−63.866 −62.572 1.00 90.05 MOL2 C ATOM 4841 CG ASP C 70 7.424 −64.558−62.132 1.00 95.17 MOL2 C ATOM 4842 OD1 ASP C 70 7.429 −65.157 −61.0351.00 99.07 MOL2 O ATOM 4843 OD2 ASP C 70 6.419 −64.519 −62.873 1.0096.71 MOL2 O ATOM 4844 C ASP C 70 9.819 −62.199 −64.056 1.00 79.36 MOL2C ATOM 4845 O ASP C 70 10.718 −62.769 −64.676 1.00 81.13 MOL2 O ATOM4846 N PHE C 71 9.923 −60.947 −63.632 1.00 68.65 MOL2 N ATOM 4847 CA PHEC 71 11.132 −60.172 −63.852 1.00 55.13 MOL2 C ATOM 4848 CB PHE C 7110.950 −59.221 −65.005 1.00 47.53 MOL2 C ATOM 4849 CG PHE C 71 10.576−59.890 −66.262 1.00 45.02 MOL2 C ATOM 4850 CD1 PHE C 71 11.465 −59.963−67.307 1.00 46.41 MOL2 C ATOM 4851 CD2 PHE C 71 9.323 −60.433 −66.4151.00 42.09 MOL2 C ATOM 4852 CE1 PHE C 71 11.103 −60.562 −68.485 1.0044.29 MOL2 C ATOM 4853 CE2 PHE C 71 8.959 −61.033 −67.592 1.00 41.81MOL2 C ATOM 4854 CZ PHE C 71 9.847 −61.096 −68.628 1.00 40.40 MOL2 CATOM 4855 C PHE C 71 11.470 −59.372 −62.623 1.00 53.35 MOL2 C ATOM 4856O PHE C 71 10.616 −59.107 −61.772 1.00 54.82 MOL2 O ATOM 4857 N THR C 7212.719 −58.957 −62.544 1.00 47.38 MOL2 N ATOM 4858 CA THR C 72 13.162−58.212 −61.395 1.00 51.19 MOL2 C ATOM 4859 CB THR C 72 13.820 −59.138−60.369 1.00 57.83 MOL2 C ATOM 4860 OG1 THR C 72 12.830 −59.643 −59.4631.00 69.70 MOL2 O ATOM 4861 CG2 THR C 72 14.903 −58.385 −59.603 1.0059.36 MOL2 C ATOM 4862 C THR C 72 14.178 −57.161 −61.747 1.00 46.72 MOL2C ATOM 4863 O THR C 72 15.110 −57.419 −62.489 1.00 49.28 MOL2 O ATOM4864 N LEU C 73 13.990 −55.966 −61.211 1.00 46.28 MOL2 N ATOM 4865 CALEU C 73 14.925 −54.885 −61.438 1.00 45.82 MOL2 C ATOM 4866 CB LEU C 7314.196 −53.578 −61.712 1.00 45.60 MOL2 C ATOM 4867 CG LEU C 73 15.168−52.402 −61.694 1.00 52.06 MOL2 C ATOM 4868 CD1 LEU C 73 16.429 −52.775−62.453 1.00 54.73 MOL2 C ATOM 4869 CD2 LEU C 73 14.512 −51.185 −62.2991.00 54.51 MOL2 C ATOM 4870 C LEU C 73 15.642 −54.787 −60.126 1.00 44.33MOL2 C ATOM 4871 O LEU C 73 15.015 −54.959 −59.083 1.00 47.74 MOL2 OATOM 4872 N THR C 74 16.942 −54.521 −60.150 1.00 42.16 MOL2 N ATOM 4873CA THR C 74 17.665 −54.436 −58.890 1.00 46.63 MOL2 C ATOM 4874 CB THR C74 18.187 −55.818 −58.459 1.00 50.79 MOL2 C ATOM 4875 OG1 THR C 7419.400 −55.649 −57.714 1.00 53.78 MOL2 O ATOM 4876 CG2 THR C 74 18.412−56.723 −59.683 1.00 50.86 MOL2 C ATOM 4877 C THR C 74 18.821 −53.453−58.832 1.00 44.72 MOL2 C ATOM 4878 O THR C 74 19.681 −53.425 −59.7071.00 45.79 MOL2 O ATOM 4879 N ILE C 75 18.831 −52.648 −57.779 1.00 42.15MOL2 N ATOM 4880 CA ILE C 75 19.873 −51.665 −57.586 1.00 48.05 MOL2 CATOM 4881 CB ILE C 75 19.282 −50.316 −57.156 1.00 47.25 MOL2 C ATOM 4882CG2 ILE C 75 20.339 −49.226 −57.222 1.00 54.36 MOL2 C ATOM 4883 CG1 ILEC 75 18.145 −49.932 −58.091 1.00 41.76 MOL2 C ATOM 4884 CD1 ILE C 7517.763 −48.493 −57.969 1.00 40.92 MOL2 C ATOM 4885 C ILE C 75 20.837−52.161 −56.510 1.00 53.74 MOL2 C ATOM 4886 O ILE C 75 20.519 −52.153−55.325 1.00 58.13 MOL2 O ATOM 4887 N SER C 76 22.017 −52.589 −56.9471.00 56.34 MOL2 N ATOM 4888 CA SER C 76 23.071 −53.111 −56.085 1.0055.62 MOL2 C ATOM 4889 CB SER C 76 24.334 −53.347 −56.900 1.00 61.50MOL2 C ATOM 4890 OG SER C 76 24.075 −54.209 −57.995 1.00 81.73 MOL2 OATOM 4891 C SER C 76 23.446 −52.224 −54.927 1.00 54.64 MOL2 C ATOM 4892O SER C 76 23.716 −52.699 −53.830 1.00 61.45 MOL2 O ATOM 4893 N SER C 7723.484 −50.928 −55.163 1.00 52.22 MOL2 N ATOM 4894 CA SER C 77 23.870−50.024 −54.101 1.00 52.79 MOL2 C ATOM 4895 CB SER C 77 25.389 −49.839−54.162 1.00 49.01 MOL2 C ATOM 4896 OG SER C 77 25.840 −48.801 −53.3181.00 53.10 MOL2 O ATOM 4897 C SER C 77 23.138 −48.689 −54.235 1.00 54.66MOL2 C ATOM 4898 O SER C 77 23.654 −47.741 −54.824 1.00 57.72 MOL2 OATOM 4899 N LEU C 78 21.935 −48.619 −53.677 1.00 52.90 MOL2 N ATOM 4900CA LEU C 78 21.130 −47.412 −53.756 1.00 50.36 MOL2 C ATOM 4901 CB LEU C78 20.011 −47.468 −52.723 1.00 47.88 MOL2 C ATOM 4902 CG LEU C 78 18.749−46.876 −53.326 1.00 47.66 MOL2 C ATOM 4903 CD1 LEU C 78 18.558 −47.499−54.675 1.00 48.44 MOL2 C ATOM 4904 CD2 LEU C 78 17.545 −47.118 −52.4401.00 54.70 MOL2 C ATOM 4905 C LEU C 78 21.947 −46.138 −53.582 1.00 50.02MOL2 C ATOM 4906 O LEU C 78 22.831 −46.061 −52.734 1.00 50.35 MOL2 OATOM 4907 N GLN C 79 21.640 −45.143 −54.406 1.00 52.73 MOL2 N ATOM 4908CA GLN C 79 22.334 −43.857 −54.393 1.00 54.06 MOL2 C ATOM 4909 CB GLN C79 23.080 −43.648 −55.711 1.00 55.34 MOL2 C ATOM 4910 CG GLN C 79 24.229−44.593 −55.899 1.00 54.70 MOL2 C ATOM 4911 CD GLN C 79 25.156 −44.554−54.715 1.00 59.34 MOL2 C ATOM 4912 OE1 GLN C 79 25.829 −43.547 −54.4751.00 60.93 MOL2 O ATOM 4913 NE2 GLN C 79 25.187 −45.644 −53.949 1.0052.58 MOL2 N ATOM 4914 C GLN C 79 21.341 −42.731 −54.210 1.00 54.56 MOL2C ATOM 4915 O GLN C 79 20.169 −42.881 −54.541 1.00 62.39 MOL2 O ATOM4916 N PRO C 80 21.806 −41.571 −53.721 1.00 52.71 MOL2 N ATOM 4917 CDPRO C 80 23.220 −41.182 −53.617 1.00 49.20 MOL2 C ATOM 4918 CA PRO C 8020.939 −40.410 −53.493 1.00 55.43 MOL2 C ATOM 4919 CB PRO C 80 21.930−39.266 −53.320 1.00 49.94 MOL2 C ATOM 4920 CG PRO C 80 23.134 −39.939−52.777 1.00 51.58 MOL2 C ATOM 4921 C PRO C 80 19.993 −40.161 −54.6551.00 59.49 MOL2 C ATOM 4922 O PRO C 80 18.794 −39.970 −54.471 1.00 68.04MOL2 O ATOM 4923 N GLU C 81 20.542 −40.185 −55.858 1.00 58.82 MOL2 NATOM 4924 CA GLU C 81 19.765 −39.927 −57.051 1.00 65.03 MOL2 C ATOM 4925CB GLU C 81 20.689 −39.406 −58.158 1.00 76.22 MOL2 C ATOM 4926 CG GLU C81 22.051 −40.110 −58.272 1.00 88.01 MOL2 C ATOM 4927 CD GLU C 81 23.077−39.649 −57.229 1.00 97.10 MOL2 C ATOM 4928 OE1 GLU C 81 24.225 −40.147−57.275 1.00 101.10 MOL2 O ATOM 4929 OE2 GLU C 81 22.751 −38.795 −56.3691.00 101.43 MOL2 O ATOM 4930 C GLU C 81 18.959 −41.102 −57.572 1.0063.06 MOL2 C ATOM 4931 O GLU C 81 18.359 −41.016 −58.638 1.00 70.08 MOL2O ATOM 4932 N ASP C 82 18.931 −42.199 −56.834 1.00 56.47 MOL2 N ATOM4933 CA ASP C 82 18.178 −43.356 −57.291 1.00 56.08 MOL2 C ATOM 4934 CBASP C 82 18.915 −44.631 −56.912 1.00 65.30 MOL2 C ATOM 4935 CG ASP C 8220.182 −44.808 −57.704 1.00 75.06 MOL2 C ATOM 4936 OD1 ASP C 82 20.938−45.761 −57.409 1.00 79.38 MOL2 O ATOM 4937 OD2 ASP C 82 20.407 −43.989−58.628 1.00 78.88 MOL2 O ATOM 4938 C ASP C 82 16.778 −43.366 −56.7161.00 50.07 MOL2 C ATOM 4939 O ASP C 82 15.960 −44.244 −57.018 1.00 43.69MOL2 O ATOM 4940 N PHE C 83 16.512 −42.377 −55.880 1.00 46.85 MOL2 NATOM 4941 CA PHE C 83 15.217 −42.262 −55.263 1.00 47.13 MOL2 C ATOM 4942CB PHE C 83 15.316 −41.358 −54.038 1.00 41.56 MOL2 C ATOM 4943 CG PHE C83 16.047 −41.988 −52.899 1.00 43.74 MOL2 C ATOM 4944 CD1 PHE C 8317.214 −41.435 −52.409 1.00 47.35 MOL2 C ATOM 4945 CD2 PHE C 83 15.573−43.157 −52.326 1.00 50.15 MOL2 C ATOM 4946 CE1 PHE C 83 17.899 −42.038−51.367 1.00 47.11 MOL2 C ATOM 4947 CE2 PHE C 83 16.247 −43.765 −51.2871.00 47.53 MOL2 C ATOM 4948 CZ PHE C 83 17.412 −43.204 −50.808 1.0050.38 MOL2 C ATOM 4949 C PHE C 83 14.259 −41.716 −56.303 1.00 46.06 MOL2C ATOM 4950 O PHE C 83 14.272 −40.521 −56.625 1.00 46.82 MOL2 O ATOM4951 N ALA C 84 13.447 −42.621 −56.838 1.00 40.65 MOL2 N ATOM 4952 CAALA C 84 12.472 −42.291 −57.854 1.00 41.88 MOL2 C ATOM 4953 CB ALA C 8413.169 −42.081 −59.176 1.00 43.18 MOL2 C ATOM 4954 C ALA C 84 11.467−43.417 −57.980 1.00 42.51 MOL2 C ATOM 4955 O ALA C 84 11.444 −44.347−57.183 1.00 44.46 MOL2 O ATOM 4956 N THR C 85 10.638 −43.340 −58.9971.00 40.74 MOL2 N ATOM 4957 CA THR C 85 9.659 −44.371 −59.185 1.00 45.97MOL2 C ATOM 4958 CB THR C 85 8.312 −43.744 −59.441 1.00 52.46 MOL2 CATOM 4959 OG1 THR C 85 8.011 −42.858 −58.352 1.00 55.95 MOL2 O ATOM 4960CG2 THR C 85 7.236 −44.817 −59.564 1.00 57.54 MOL2 C ATOM 4961 C THR C85 10.132 −45.159 −60.377 1.00 43.47 MOL2 C ATOM 4962 O THR C 85 10.725−44.579 −61.274 1.00 46.85 MOL2 O ATOM 4963 N TYR C 86 9.896 −46.470−60.386 1.00 38.56 MOL2 N ATOM 4964 CA TYR C 86 10.333 −47.297 −61.5051.00 34.41 MOL2 C ATOM 4965 CB TYR C 86 11.420 −48.263 −61.050 1.0029.81 MOL2 C ATOM 4966 CG TYR C 86 12.660 −47.561 −60.554 1.00 33.34MOL2 C ATOM 4967 CD1 TYR C 86 12.753 −47.089 −59.249 1.00 30.80 MOL2 CATOM 4968 CE1 TYR C 86 13.895 −46.406 −58.808 1.00 31.41 MOL2 C ATOM4969 CD2 TYR C 86 13.734 −47.331 −61.407 1.00 38.84 MOL2 C ATOM 4970 CE2TYR C 86 14.873 −46.644 −60.977 1.00 36.10 MOL2 C ATOM 4971 CZ TYR C 8614.947 −46.192 −59.683 1.00 33.18 MOL2 C ATOM 4972 OH TYR C 86 16.087−45.553 −59.275 1.00 29.32 MOL2 O ATOM 4973 C TYR C 86 9.192 −48.057−62.136 1.00 37.41 MOL2 C ATOM 4974 O TYR C 86 8.342 −48.594 −61.4331.00 42.90 MOL2 O ATOM 4975 N TYR C 87 9.166 −48.097 −63.464 1.00 35.15MOL2 N ATOM 4976 CA TYR C 87 8.091 −48.793 −64.174 1.00 42.51 MOL2 CATOM 4977 CB TYR C 87 7.300 −47.825 −65.078 1.00 42.87 MOL2 C ATOM 4978CG TYR C 87 6.581 −46.680 −64.389 1.00 49.15 MOL2 C ATOM 4979 CD1 TYR C87 5.334 −46.846 −63.809 1.00 49.37 MOL2 C ATOM 4980 CE1 TYR C 87 4.699−45.785 −63.161 1.00 55.42 MOL2 C ATOM 4981 CD2 TYR C 87 7.167 −45.429−64.309 1.00 57.77 MOL2 C ATOM 4982 CE2 TYR C 87 6.543 −44.370 −63.6671.00 58.59 MOL2 C ATOM 4983 CZ TYR C 87 5.318 −44.548 −63.093 1.00 55.31MOL2 C ATOM 4984 OH TYR C 87 4.748 −43.481 −62.428 1.00 50.87 MOL2 OATOM 4985 C TYR C 87 8.625 −49.898 −65.069 1.00 44.65 MOL2 C ATOM 4986 OTYR C 87 9.686 −49.744 −65.665 1.00 50.92 MOL2 O ATOM 4987 N CYS C 887.902 −51.010 −65.165 1.00 40.51 MOL2 N ATOM 4988 CA CYS C 88 8.321−52.063 −66.074 1.00 44.56 MOL2 C ATOM 4989 C CYS C 88 7.382 −51.954−67.247 1.00 44.14 MOL2 C ATOM 4990 O CYS C 88 6.341 −51.336 −67.1271.00 50.52 MOL2 O ATOM 4991 CB CYS C 88 8.229 −53.445 −65.447 1.00 53.31MOL2 C ATOM 4992 SG CYS C 88 6.697 −53.880 −64.577 1.00 73.27 MOL2 SATOM 4993 N GLN C 89 7.744 −52.514 −68.391 1.00 42.16 MOL2 N ATOM 4994CA GLN C 89 6.883 −52.417 −69.558 1.00 44.69 MOL2 C ATOM 4995 CB GLN C89 7.140 −51.123 −70.337 1.00 43.41 MOL2 C ATOM 4996 CG GLN C 89 6.642−51.211 −71.784 1.00 49.94 MOL2 C ATOM 4997 CD GLN C 89 7.269 −50.188−72.718 1.00 50.73 MOL2 C ATOM 4998 OE1 GLN C 89 8.451 −49.885 −72.6151.00 46.53 MOL2 O ATOM 4999 NE2 GLN C 89 6.480 −49.675 −73.656 1.0052.51 MOL2 N ATOM 5000 C GLN C 89 7.137 −53.582 −70.473 1.00 48.95 MOL2C ATOM 5001 O GLN C 89 8.263 −54.033 −70.605 1.00 51.54 MOL2 O ATOM 5002N GLN C 90 6.083 −54.053 −71.121 1.00 53.29 MOL2 N ATOM 5003 CA GLN C 906.190 −55.175 −72.029 1.00 56.74 MOL2 C ATOM 5004 CB GLN C 90 5.246−56.286 −71.568 1.00 59.25 MOL2 C ATOM 5005 CG GLN C 90 3.787 −55.902−71.608 1.00 58.76 MOL2 C ATOM 5006 CD GLN C 90 3.185 −56.140 −72.9691.00 68.50 MOL2 C ATOM 5007 OE1 GLN C 90 2.093 −55.661 −73.273 1.0079.12 MOL2 O ATOM 5008 NE2 GLN C 90 3.892 −56.895 −73.803 1.00 67.31MOL2 N ATOM 5009 C GLN C 90 5.798 −54.677 −73.407 1.00 60.06 MOL2 C ATOM5010 O GLN C 90 5.064 −53.696 −73.520 1.00 60.76 MOL2 O ATOM 5011 N THRC 91 6.306 −55.331 −74.450 1.00 61.92 MOL2 N ATOM 5012 CA THR C 91 5.976−54.959 −75.819 1.00 62.24 MOL2 C ATOM 5013 CB THR C 91 7.067 −54.124−76.509 1.00 58.94 MOL2 C ATOM 5014 OG1 THR C 91 8.308 −54.830 −76.4631.00 61.60 MOL2 O ATOM 5015 CG2 THR C 91 7.215 −52.783 −75.847 1.0061.34 MOL2 C ATOM 5016 C THR C 91 5.777 −56.201 −76.648 1.00 66.54 MOL2C ATOM 5017 O THR C 91 5.987 −56.178 −77.854 1.00 71.36 MOL2 O ATOM 5018N TRP C 92 5.386 −57.294 −76.010 1.00 70.31 MOL2 N ATOM 5019 CA TRP C 925.149 −58.508 −76.762 1.00 80.64 MOL2 C ATOM 5020 CB TRP C 92 5.232−59.735 −75.857 1.00 85.10 MOL2 C ATOM 5021 CG TRP C 92 5.571 −60.982−76.607 1.00 97.56 MOL2 C ATOM 5022 CD2 TRP C 92 4.837 −62.207 −76.6121.00 103.33 MOL2 C ATOM 5023 CE2 TRP C 92 5.527 −63.108 −77.457 1.00108.01 MOL2 C ATOM 5024 CE3 TRP C 92 3.663 −62.635 −75.984 1.00 106.52MOL2 C ATOM 5025 CD1 TRP C 92 6.650 −61.180 −77.428 1.00 104.29 MOL2 CATOM 5026 NE1 TRP C 92 6.630 −62.457 −77.943 1.00 104.83 MOL2 N ATOM5027 CZ2 TRP C 92 5.078 −64.408 −77.688 1.00 114.24 MOL2 C ATOM 5028 CZ3TRP C 92 3.216 −63.930 −76.214 1.00 115.21 MOL2 C ATOM 5029 CH2 TRP C 923.923 −64.801 −77.059 1.00 118.29 MOL2 C ATOM 5030 C TRP C 92 3.766−58.397 −77.405 1.00 87.15 MOL2 C ATOM 5031 O TRP C 92 3.638 −58.507−78.626 1.00 89.95 MOL2 O ATOM 5032 N SER C 93 2.741 −58.151 −76.5871.00 92.89 MOL2 N ATOM 5033 CA SER C 93 1.364 −58.013 −77.073 1.00 98.74MOL2 C ATOM 5034 CB SER C 93 0.371 −58.525 −76.023 1.00 102.20 MOL2 CATOM 5035 OG SER C 93 0.370 −59.945 −75.962 1.00 103.64 MOL2 O ATOM 5036C SER C 93 1.025 −56.568 −77.427 1.00 100.18 MOL2 C ATOM 5037 O SER C 931.289 −55.650 −76.647 1.00 97.42 MOL2 O ATOM 5038 N ASP C 94 0.416−56.393 −78.599 1.00 101.46 MOL2 N ATOM 5039 CA ASP C 94 0.042 −55.086−79.131 1.00 104.82 MOL2 C ATOM 5040 CB ASP C 94 −1.136 −55.232 −80.0891.00 113.86 MOL2 C ATOM 5041 CG ASP C 94 −1.477 −53.923 −80.778 1.00123.75 MOL2 C ATOM 5042 OD1 ASP C 94 −2.669 −53.693 −81.099 1.00 127.52MOL2 O ATOM 5043 OD2 ASP C 94 −0.535 −53.126 −81.001 1.00 124.10 MOL2 OATOM 5044 C ASP C 94 −0.282 −53.949 −78.153 1.00 101.57 MOL2 C ATOM 5045O ASP C 94 0.285 −52.857 −78.251 1.00 108.20 MOL2 O ATOM 5046 N PRO C 95−1.225 −54.164 −77.224 1.00 93.00 MOL2 N ATOM 5047 CD PRO C 95 −2.164−55.268 −77.003 1.00 90.23 MOL2 C ATOM 5048 CA PRO C 95 −1.500 −53.046−76.312 1.00 85.27 MOL2 C ATOM 5049 CB PRO C 95 −2.800 −53.450 −75.6211.00 80.37 MOL2 C ATOM 5050 CG PRO C 95 −3.372 −54.514 −76.521 1.0091.74 MOL2 C ATOM 5051 C PRO C 95 −0.361 −52.954 −75.318 1.00 80.12 MOL2C ATOM 5052 O PRO C 95 −0.492 −53.406 −74.186 1.00 84.08 MOL2 O ATOM5053 N TRP C 96 0.763 −52.394 −75.742 1.00 69.19 MOL2 N ATOM 5054 CA TRPC 96 1.902 −52.276 −74.858 1.00 64.73 MOL2 C ATOM 5055 CB TRP C 96 2.939−51.339 −75.472 1.00 67.03 MOL2 C ATOM 5056 CG TRP C 96 3.479 −51.811−76.799 1.00 65.50 MOL2 C ATOM 5057 CD2 TRP C 96 4.212 −51.031 −77.7511.00 64.82 MOL2 C ATOM 5058 CE2 TRP C 96 4.535 −51.883 −78.830 1.0064.27 MOL2 C ATOM 5059 CE3 TRP C 96 4.631 −49.694 −77.796 1.00 65.71MOL2 C ATOM 5060 CD1 TRP C 96 3.393 −53.074 −77.324 1.00 62.32 MOL2 CATOM 5061 NE1 TRP C 96 4.024 −53.123 −78.543 1.00 57.53 MOL2 N ATOM 5062CZ2 TRP C 96 5.257 −51.439 −79.950 1.00 67.90 MOL2 C ATOM 5063 CZ3 TRP C96 5.350 −49.254 −78.907 1.00 71.07 MOL2 C ATOM 5064 CH2 TRP C 96 5.654−50.127 −79.971 1.00 69.11 MOL2 C ATOM 5065 C TRP C 96 1.448 −51.751−73.499 1.00 62.33 MOL2 C ATOM 5066 O TRP C 96 0.760 −50.736 −73.4111.00 61.48 MOL2 O ATOM 5067 N THR C 97 1.825 −52.438 −72.430 1.00 60.38MOL2 N ATOM 5068 CA THR C 97 1.402 −51.994 −71.107 1.00 67.03 MOL2 CATOM 5069 CB THR C 97 0.421 −52.981 −70.503 1.00 66.35 MOL2 C ATOM 5070OG1 THR C 97 1.033 −54.275 −70.429 1.00 60.19 MOL2 O ATOM 5071 CG2 THR C97 −0.838 −53.035 −71.356 1.00 68.04 MOL2 C ATOM 5072 C THR C 97 2.517−51.743 −70.093 1.00 67.76 MOL2 C ATOM 5073 O THR C 97 3.618 −52.282−70.211 1.00 74.50 MOL2 O ATOM 5074 N PHE C 98 2.219 −50.913 −69.0961.00 59.78 MOL2 N ATOM 5075 CA PHE C 98 3.187 −50.571 −68.068 1.00 57.99MOL2 C ATOM 5076 CB PHE C 98 3.302 −49.052 −67.913 1.00 61.94 MOL2 CATOM 5077 CG PHE C 98 4.001 −48.362 −69.039 1.00 61.57 MOL2 C ATOM 5078CD1 PHE C 98 3.456 −48.332 −70.303 1.00 67.69 MOL2 C ATOM 5079 CD2 PHE C98 5.194 −47.711 −68.823 1.00 66.48 MOL2 C ATOM 5080 CE1 PHE C 98 4.093−47.660 −71.330 1.00 67.42 MOL2 C ATOM 5081 CE2 PHE C 98 5.833 −47.039−69.846 1.00 68.13 MOL2 C ATOM 5082 CZ PHE C 98 5.282 −47.014 −71.0971.00 66.10 MOL2 C ATOM 5083 C PHE C 98 2.795 −51.131 −66.706 1.00 59.07MOL2 C ATOM 5084 O PHE C 98 1.687 −51.611 −66.501 1.00 62.87 MOL2 O ATOM5085 N GLY C 99 3.724 −51.036 −65.765 1.00 59.70 MOL2 N ATOM 5086 CA GLYC 99 3.475 −51.494 −64.420 1.00 53.24 MOL2 C ATOM 5087 C GLY C 99 2.872−50.333 −63.670 1.00 51.26 MOL2 C ATOM 5088 O GLY C 99 2.812 −49.216−64.185 1.00 48.83 MOL2 O ATOM 5089 N GLN C 100 2.423 −50.605 −62.4551.00 51.14 MOL2 N ATOM 5090 CA GLN C 100 1.798 −49.603 −61.623 1.0055.18 MOL2 C ATOM 5091 CB GLN C 100 1.165 −50.288 −60.427 1.00 63.92MOL2 C ATOM 5092 CG GLN C 100 2.172 −51.079 −59.621 1.00 74.70 MOL2 CATOM 5093 CD GLN C 100 1.666 −51.403 −58.236 1.00 86.82 MOL2 C ATOM 5094OE1 GLN C 100 2.423 −51.875 −57.376 1.00 92.54 MOL2 O ATOM 5095 NE2 GLNC 100 0.374 −51.155 −58.004 1.00 91.03 MOL2 N ATOM 5096 C GLN C 1002.864 −48.636 −61.153 1.00 54.59 MOL2 C ATOM 5097 O GLN C 100 2.571−47.503 −60.752 1.00 52.82 MOL2 O ATOM 5098 N GLY C 101 4.109 −49.099−61.203 1.00 53.10 MOL2 N ATOM 5099 CA GLY C 101 5.221 −48.274 −60.7611.00 53.78 MOL2 C ATOM 5100 C GLY C 101 5.540 −48.436 −59.280 1.00 52.00MOL2 C ATOM 5101 O GLY C 101 4.632 −48.520 −58.442 1.00 50.84 MOL2 OATOM 5102 N THR C 102 6.833 −48.470 −58.961 1.00 46.88 MOL2 N ATOM 5103CA THR C 102 7.312 −48.628 −57.589 1.00 41.81 MOL2 C ATOM 5104 CB THR C102 8.336 −49.750 −57.467 1.00 42.84 MOL2 C ATOM 5105 OG1 THR C 1027.736 −51.009 −57.785 1.00 42.59 MOL2 O ATOM 5106 CG2 THR C 102 8.894−49.770 −56.079 1.00 37.70 MOL2 C ATOM 5107 C THR C 102 8.042 −47.382−57.151 1.00 39.95 MOL2 C ATOM 5108 O THR C 102 8.985 −46.964 −57.7951.00 40.11 MOL2 O ATOM 5109 N LYS C 103 7.634 −46.785 −56.049 1.00 44.42MOL2 N ATOM 5110 CA LYS C 103 8.325 −45.588 −55.613 1.00 49.42 MOL2 CATOM 5111 CB LYS C 103 7.337 −44.513 −55.133 1.00 56.28 MOL2 C ATOM 5112CG LYS C 103 7.986 −43.208 −54.646 1.00 57.48 MOL2 C ATOM 5113 CD LYS C103 6.943 −42.090 −54.455 1.00 75.34 MOL2 C ATOM 5114 CE LYS C 103 6.175−41.808 −55.767 1.00 93.46 MOL2 C ATOM 5115 NZ LYS C 103 5.148 −40.707−55.711 1.00 98.17 MOL2 N ATOM 5116 C LYS C 103 9.280 −45.947 −54.5051.00 50.29 MOL2 C ATOM 5117 O LYS C 103 8.903 −46.585 −53.518 1.00 55.19MOL2 O ATOM 5118 N VAL C 104 10.529 −45.546 −54.688 1.00 46.27 MOL2 NATOM 5119 CA VAL C 104 11.556 −45.801 −53.705 1.00 42.44 MOL2 C ATOM5120 CB VAL C 104 12.848 −46.242 −54.366 1.00 41.07 MOL2 C ATOM 5121 CG1VAL C 104 13.947 −46.361 −53.315 1.00 44.48 MOL2 C ATOM 5122 CG2 VAL C104 12.621 −47.571 −55.066 1.00 35.63 MOL2 C ATOM 5123 C VAL C 10411.803 −44.522 −52.957 1.00 40.72 MOL2 C ATOM 5124 O VAL C 104 12.099−43.505 −53.569 1.00 38.61 MOL2 O ATOM 5125 N GLU C 105 11.671 −44.576−51.633 1.00 47.49 MOL2 N ATOM 5126 CA GLU C 105 11.874 −43.407 −50.7731.00 56.29 MOL2 C ATOM 5127 CB GLU C 105 10.555 −43.003 −50.112 1.0060.05 MOL2 C ATOM 5128 CG GLU C 105 9.531 −42.530 −51.129 1.00 76.31MOL2 C ATOM 5129 CD GLU C 105 8.137 −42.380 −50.563 1.00 83.54 MOL2 CATOM 5130 OE1 GLU C 105 7.564 −43.409 −50.132 1.00 85.88 MOL2 O ATOM5131 OE2 GLU C 105 7.617 −41.236 −50.559 1.00 87.48 MOL2 O ATOM 5132 CGLU C 105 12.924 −43.665 −49.710 1.00 56.45 MOL2 C ATOM 5133 O GLU C 10513.151 −44.807 −49.328 1.00 66.11 MOL2 O ATOM 5134 N ILE C 106 13.564−42.602 −49.233 1.00 57.45 MOL2 N ATOM 5135 CA ILE C 106 14.614 −42.710−48.210 1.00 63.29 MOL2 C ATOM 5136 CB ILE C 106 15.345 −41.378 −47.9851.00 69.09 MOL2 C ATOM 5137 CG2 ILE C 106 16.817 −41.562 −48.252 1.0073.60 MOL2 C ATOM 5138 CG1 ILE C 106 14.701 −40.266 −48.822 1.00 75.56MOL2 C ATOM 5139 CD1 ILE C 106 15.339 −38.880 −48.647 1.00 72.29 MOL2 CATOM 5140 C ILE C 106 14.116 −43.108 −46.830 1.00 62.98 MOL2 C ATOM 5141O ILE C 106 13.289 −42.409 −46.257 1.00 68.92 MOL2 O ATOM 5142 N LYS C107 14.649 −44.200 −46.283 1.00 58.93 MOL2 N ATOM 5143 CA LYS C 10714.276 −44.697 −44.946 1.00 52.34 MOL2 C ATOM 5144 CB LYS C 107 14.875−46.086 −44.728 1.00 53.80 MOL2 C ATOM 5145 CG LYS C 107 14.056 −47.077−43.939 1.00 61.17 MOL2 C ATOM 5146 CD LYS C 107 13.947 −46.753 −42.4711.00 67.82 MOL2 C ATOM 5147 CE LYS C 107 13.175 −47.877 −41.744 1.0080.85 MOL2 C ATOM 5148 NZ LYS C 107 11.870 −48.278 −42.404 1.00 84.14MOL2 N ATOM 5149 C LYS C 107 14.867 −43.788 −43.888 1.00 44.89 MOL2 CATOM 5150 O LYS C 107 15.973 −43.294 −44.049 1.00 43.57 MOL2 O ATOM 5151N ARG C 108 14.149 −43.562 −42.799 1.00 47.59 MOL2 N ATOM 5152 CA ARG C108 14.698 −42.731 −41.719 1.00 53.58 MOL2 C ATOM 5153 CB ARG C 10814.588 −41.238 −42.075 1.00 54.26 MOL2 C ATOM 5154 CG ARG C 108 13.184−40.659 −42.059 1.00 55.57 MOL2 C ATOM 5155 CD ARG C 108 12.876 −40.077−40.702 1.00 58.02 MOL2 C ATOM 5156 NE ARG C 108 13.231 −38.665 −40.5731.00 56.78 MOL2 N ATOM 5157 CZ ARG C 108 13.332 −38.031 −39.407 1.0054.67 MOL2 C ATOM 5158 NH1 ARG C 108 13.121 −38.685 −38.273 1.00 49.50MOL2 N ATOM 5159 NH2 ARG C 108 13.613 −36.737 −39.370 1.00 53.79 MOL2 NATOM 5160 C ARG C 108 14.098 −43.020 −40.322 1.00 53.05 MOL2 C ATOM 5161O ARG C 108 13.123 −43.785 −40.174 1.00 50.99 MOL2 O ATOM 5162 N THR C109 14.698 −42.434 −39.291 1.00 49.06 MOL2 N ATOM 5163 CA THR C 10914.201 −42.687 −37.943 1.00 50.32 MOL2 C ATOM 5164 CB THR C 109 15.051−42.016 −36.841 1.00 47.66 MOL2 C ATOM 5165 OG1 THR C 109 14.837 −40.598−36.835 1.00 49.22 MOL2 O ATOM 5166 CG2 THR C 109 16.509 −42.320 −37.0671.00 52.82 MOL2 C ATOM 5167 C THR C 109 12.789 −42.197 −37.830 1.0050.20 MOL2 C ATOM 5168 O THR C 109 12.454 −41.146 −38.353 1.00 54.79MOL2 O ATOM 5169 N ASP C 110 11.954 −42.966 −37.148 1.00 50.95 MOL2 NATOM 5170 CA ASP C 110 10.557 −42.593 −36.982 1.00 53.05 MOL2 C ATOM5171 CB ASP C 110 9.814 −43.725 −36.261 1.00 55.22 MOL2 C ATOM 5172 CGASP C 110 9.661 −44.982 −37.140 1.00 65.59 MOL2 C ATOM 5173 OD1 ASP C110 10.490 −45.198 −38.062 1.00 71.39 MOL2 O ATOM 5174 OD2 ASP C 1108.716 −45.765 −36.905 1.00 64.73 MOL2 O ATOM 5175 C ASP C 110 10.424−41.265 −36.238 1.00 51.10 MOL2 C ATOM 5176 O ASP C 110 11.309 −40.875−35.477 1.00 50.89 MOL2 O ATOM 5177 N ALA C 111 9.340 −40.544 −36.4941.00 50.53 MOL2 N ATOM 5178 CA ALA C 111 9.123 −39.268 −35.821 1.0051.57 MOL2 C ATOM 5179 CB ALA C 111 9.864 −38.157 −36.528 1.00 52.34MOL2 C ATOM 5180 C ALA C 111 7.638 −38.961 −35.759 1.00 53.06 MOL2 CATOM 5181 O ALA C 111 6.908 −39.124 −36.739 1.00 47.58 MOL2 O ATOM 5182N ALA C 112 7.203 −38.529 −34.581 1.00 53.40 MOL2 N ATOM 5183 CA ALA C112 5.814 −38.210 −34.349 1.00 50.17 MOL2 C ATOM 5184 CB ALA C 112 5.564−38.185 −32.880 1.00 55.55 MOL2 C ATOM 5185 C ALA C 112 5.410 −36.880−34.975 1.00 53.70 MOL2 C ATOM 5186 O ALA C 112 6.202 −35.931 −35.0521.00 54.34 MOL2 O ATOM 5187 N PRO C 113 4.156 −36.798 −35.432 1.00 53.05MOL2 N ATOM 5188 CD PRO C 113 3.166 −37.881 −35.344 1.00 52.40 MOL2 CATOM 5189 CA PRO C 113 3.559 −35.626 −36.066 1.00 55.03 MOL2 C ATOM 5190CB PRO C 113 2.263 −36.176 −36.623 1.00 55.06 MOL2 C ATOM 5191 CG PRO C113 1.873 −37.135 −35.581 1.00 51.19 MOL2 C ATOM 5192 C PRO C 113 3.284−34.525 −35.074 1.00 59.02 MOL2 C ATOM 5193 O PRO C 113 3.070 −34.785−33.892 1.00 64.39 MOL2 O ATOM 5194 N THR C 114 3.290 −33.293 −35.5611.00 62.28 MOL2 N ATOM 5195 CA THR C 114 3.000 −32.149 −34.719 1.0066.52 MOL2 C ATOM 5196 CB THR C 114 4.086 −31.088 −34.827 1.00 72.58MOL2 C ATOM 5197 OG1 THR C 114 5.212 −31.486 −34.037 1.00 83.95 MOL2 OATOM 5198 CG2 THR C 114 3.572 −29.752 −34.345 1.00 74.22 MOL2 C ATOM5199 C THR C 114 1.698 −31.605 −35.247 1.00 68.36 MOL2 C ATOM 5200 O THRC 114 1.666 −30.956 −36.293 1.00 72.84 MOL2 O ATOM 5201 N VAL C 1150.619 −31.890 −34.527 1.00 69.64 MOL2 N ATOM 5202 CA VAL C 115 −0.711−31.454 −34.942 1.00 71.67 MOL2 C ATOM 5203 CB VAL C 115 −1.792 −32.401−34.392 1.00 68.29 MOL2 C ATOM 5204 CG1 VAL C 115 −3.165 −31.978 −34.8831.00 65.89 MOL2 C ATOM 5205 CG2 VAL C 115 −1.494 −33.812 −34.824 1.0068.29 MOL2 C ATOM 5206 C VAL C 115 −1.083 −30.021 −34.558 1.00 76.27MOL2 C ATOM 5207 O VAL C 115 −0.536 −29.433 −33.611 1.00 80.19 MOL2 OATOM 5208 N SER C 116 −2.026 −29.468 −35.311 1.00 74.82 MOL2 N ATOM 5209CA SER C 116 −2.495 −28.117 −35.086 1.00 72.32 MOL2 C ATOM 5210 CB SER C116 −1.538 −27.122 −35.757 1.00 75.16 MOL2 C ATOM 5211 OG SER C 116−0.198 −27.312 −35.319 1.00 74.38 MOL2 O ATOM 5212 C SER C 116 −3.883−28.024 −35.700 1.00 71.04 MOL2 C ATOM 5213 O SER C 116 −4.092 −28.417−36.850 1.00 67.49 MOL2 O ATOM 5214 N ILE C 117 −4.847 −27.532 −34.9361.00 72.51 MOL2 N ATOM 5215 CA ILE C 117 −6.183 −27.413 −35.496 1.0076.85 MOL2 C ATOM 5216 CB ILE C 117 −7.188 −28.294 −34.712 1.00 74.89MOL2 C ATOM 5217 CG2 ILE C 117 −7.482 −27.688 −33.360 1.00 75.13 MOL2 CATOM 5218 CG1 ILE C 117 −8.458 −28.482 −35.540 1.00 73.77 MOL2 C ATOM5219 CD1 ILE C 117 −9.384 −29.550 −35.002 1.00 70.72 MOL2 C ATOM 5220 CILE C 117 −6.619 −25.939 −35.571 1.00 79.10 MOL2 C ATOM 5221 O ILE C 117−6.304 −25.124 −34.689 1.00 75.27 MOL2 O ATOM 5222 N PHE C 118 −7.312−25.594 −36.654 1.00 79.06 MOL2 N ATOM 5223 CA PHE C 118 −7.734 −24.226−36.841 1.00 82.93 MOL2 C ATOM 5224 CB PHE C 118 −6.868 −23.600 −37.9221.00 88.66 MOL2 C ATOM 5225 CG PHE C 118 −5.412 −23.779 −37.668 1.0092.35 MOL2 C ATOM 5226 CD1 PHE C 118 −4.698 −24.765 −38.319 1.00 100.70MOL2 C ATOM 5227 CD2 PHE C 118 −4.770 −23.010 −36.718 1.00 94.88 MOL2 CATOM 5228 CE1 PHE C 118 −3.358 −24.982 −38.022 1.00 108.64 MOL2 C ATOM5229 CE2 PHE C 118 −3.436 −23.220 −36.414 1.00 102.11 MOL2 C ATOM 5230CZ PHE C 118 −2.727 −24.206 −37.065 1.00 106.08 MOL2 C ATOM 5231 C PHE C118 −9.215 −24.045 −37.125 1.00 84.79 MOL2 C ATOM 5232 O PHE C 118−9.797 −24.722 −37.981 1.00 84.33 MOL2 O ATOM 5233 N PRO C 119 −9.845−23.123 −36.378 1.00 84.75 MOL2 N ATOM 5234 CD PRO C 119 −9.142 −22.344−35.345 1.00 86.66 MOL2 C ATOM 5235 CA PRO C 119 −11.260 −22.746 −36.4351.00 82.20 MOL2 C ATOM 5236 CB PRO C 119 −11.425 −21.842 −35.219 1.0089.30 MOL2 C ATOM 5237 CG PRO C 119 −10.216 −22.175 −34.332 1.00 89.26MOL2 C ATOM 5238 C PRO C 119 −11.509 −21.989 −37.719 1.00 81.90 MOL2 CATOM 5239 O PRO C 119 −10.617 −21.295 −38.211 1.00 85.94 MOL2 O ATOM5240 N PRO C 120 −12.728 −22.088 −38.266 1.00 79.18 MOL2 N ATOM 5241 CDPRO C 120 −13.891 −22.740 −37.654 1.00 74.33 MOL2 C ATOM 5242 CA PRO C120 −13.109 −21.414 −39.514 1.00 83.28 MOL2 C ATOM 5243 CB PRO C 120−14.613 −21.666 −39.598 1.00 78.99 MOL2 C ATOM 5244 CG PRO C 120 −14.785−22.936 −38.853 1.00 79.17 MOL2 C ATOM 5245 C PRO C 120 −12.781 −19.918−39.496 1.00 88.69 MOL2 C ATOM 5246 O PRO C 120 −13.058 −19.227 −38.5121.00 88.57 MOL2 O ATOM 5247 N SER C 121 −12.181 −19.420 −40.577 1.0093.69 MOL2 N ATOM 5248 CA SER C 121 −11.840 −18.002 −40.654 1.00 98.12MOL2 C ATOM 5249 CB SER C 121 −11.149 −17.666 −41.986 1.00 103.21 MOL2 CATOM 5250 OG SER C 121 −9.860 −18.249 −42.094 1.00 106.70 MOL2 O ATOM5251 C SER C 121 −13.130 −17.196 −40.549 1.00 99.93 MOL2 C ATOM 5252 OSER C 121 −14.105 −17.485 −41.254 1.00 98.91 MOL2 O ATOM 5253 N SER C122 −13.144 −16.195 −39.669 1.00 100.00 MOL2 N ATOM 5254 CA SER C 122−14.333 −15.355 −39.516 1.00 98.46 MOL2 C ATOM 5255 CB SER C 122 −14.039−14.168 −38.593 1.00 96.67 MOL2 C ATOM 5256 OG SER C 122 −13.835 −14.597−37.260 1.00 95.18 MOL2 O ATOM 5257 C SER C 122 −14.733 −14.850 −40.9011.00 97.46 MOL2 C ATOM 5258 O SER C 122 −15.912 −14.780 −41.250 1.0095.78 MOL2 O ATOM 5259 N GLU C 123 −13.719 −14.515 −41.685 1.00 95.17MOL2 N ATOM 5260 CA GLU C 123 −13.897 −14.021 −43.031 1.00 96.49 MOL2 CATOM 5261 CB GLU C 123 −12.513 −13.741 −43.626 1.00 101.06 MOL2 C ATOM5262 CG GLU C 123 −11.598 −12.872 −42.722 1.00 105.38 MOL2 C ATOM 5263CD GLU C 123 −11.419 −13.419 −41.291 1.00 107.61 MOL2 C ATOM 5264 OE1GLU C 123 −11.022 −14.594 −41.134 1.00 111.76 MOL2 O ATOM 5265 OE2 GLU C123 −11.670 −12.673 −40.316 1.00 103.87 MOL2 O ATOM 5266 C GLU C 123−14.656 −15.072 −43.845 1.00 97.39 MOL2 C ATOM 5267 O GLU C 123 −15.453−14.742 −44.728 1.00 97.52 MOL2 O ATOM 5268 N GLN C 124 −14.414 −16.340−43.525 1.00 97.89 MOL2 N ATOM 5269 CA GLN C 124 −15.059 −17.460 −44.2121.00 101.57 MOL2 C ATOM 5270 CB GLN C 124 −14.358 −18.771 −43.837 1.00105.91 MOL2 C ATOM 5271 CG GLN C 124 −15.008 −20.006 −44.441 1.00 107.01MOL2 C ATOM 5272 CD GLN C 124 −14.364 −21.295 −43.978 1.00 103.71 MOL2 CATOM 5273 OE1 GLN C 124 −14.499 −22.331 −44.631 1.00 101.30 MOL2 O ATOM5274 NE2 GLN C 124 −13.673 −21.244 −42.841 1.00 99.29 MOL2 N ATOM 5275 CGLN C 124 −16.529 −17.559 −43.823 1.00 99.96 MOL2 C ATOM 5276 O GLN C124 −17.417 −17.669 −44.677 1.00 94.72 MOL2 O ATOM 5277 N LEU C 125−16.750 −17.544 −42.514 1.00 100.90 MOL2 N ATOM 5278 CA LEU C 125−18.077 −17.616 −41.919 1.00 105.80 MOL2 C ATOM 5279 CB LEU C 125−18.006 −17.163 −40.460 1.00 107.11 MOL2 C ATOM 5280 CG LEU C 125−17.051 −17.885 −39.509 1.00 112.14 MOL2 C ATOM 5281 CD1 LEU C 125−16.864 −17.060 −38.238 1.00 111.82 MOL2 C ATOM 5282 CD2 LEU C 125−17.602 −19.270 −39.189 1.00 113.18 MOL2 C ATOM 5283 C LEU C 125 −19.037−16.693 −42.655 1.00 109.20 MOL2 C ATOM 5284 O LEU C 125 −20.187 −17.050−42.942 1.00 109.87 MOL2 O ATOM 5285 N THR C 126 −18.553 −15.488 −42.9391.00 110.02 MOL2 N ATOM 5286 CA THR C 126 −19.352 −14.487 −43.627 1.00110.15 MOL2 C ATOM 5287 CB THR C 126 −18.690 −13.090 −43.555 1.00 111.30MOL2 C ATOM 5288 OG1 THR C 126 −17.549 −13.055 −44.421 1.00 116.23 MOL2O ATOM 5289 CG2 THR C 126 −18.240 −12.781 −42.125 1.00 110.60 MOL2 CATOM 5290 C THR C 126 −19.519 −14.880 −45.089 1.00 111.30 MOL2 C ATOM5291 O THR C 126 −19.216 −14.096 −45.991 1.00 113.98 MOL2 O ATOM 5292 NSER C 127 −19.993 −16.101 −45.316 1.00 110.58 MOL2 N ATOM 5293 CA SER C127 −20.208 −16.602 −46.668 1.00 111.26 MOL2 C ATOM 5294 CB SER C 127−18.870 −16.820 −47.385 1.00 115.20 MOL2 C ATOM 5295 OG SER C 127−19.073 −17.129 −48.757 1.00 114.55 MOL2 O ATOM 5296 C SER C 127 −20.980−17.910 −46.610 1.00 110.60 MOL2 C ATOM 5297 O SER C 127 −21.007 −18.672−47.580 1.00 110.21 MOL2 O ATOM 5298 N GLY C 128 −21.600 −18.166 −45.4611.00 109.69 MOL2 N ATOM 5299 CA GLY C 128 −22.384 −19.379 −45.292 1.00110.41 MOL2 C ATOM 5300 C GLY C 128 −21.583 −20.668 −45.338 1.00 108.79MOL2 C ATOM 5301 O GLY C 128 −22.125 −21.751 −45.585 1.00 107.03 MOL2 OATOM 5302 N GLY C 129 −20.283 −20.556 −45.098 1.00 106.35 MOL2 N ATOM5303 CA GLY C 129 −19.442 −21.734 −45.117 1.00 104.12 MOL2 C ATOM 5304 CGLY C 129 −18.409 −21.660 −44.017 1.00 102.84 MOL2 C ATOM 5305 O GLY C129 −18.098 −20.564 −43.523 1.00 96.92 MOL2 O ATOM 5306 N ALA C 130−17.885 −22.827 −43.634 1.00 102.40 MOL2 N ATOM 5307 CA ALA C 130−16.870 −22.927 −42.582 1.00 98.21 MOL2 C ATOM 5308 CB ALA C 130 −17.524−22.848 −41.193 1.00 102.42 MOL2 C ATOM 5309 C ALA C 130 −16.077 −24.222−42.702 1.00 93.42 MOL2 C ATOM 5310 O ALA C 130 −16.649 −25.302 −42.8841.00 89.92 MOL2 O ATOM 5311 N SER C 131 −14.756 −24.108 −42.607 1.0089.44 MOL2 N ATOM 5312 CA SER C 131 −13.896 −25.279 −42.684 1.00 84.50MOL2 C ATOM 5313 CB SER C 131 −13.157 −25.330 −44.023 1.00 88.74 MOL2 CATOM 5314 OG SER C 131 −14.002 −25.863 −45.031 1.00 96.57 MOL2 O ATOM5315 C SER C 131 −12.903 −25.319 −41.542 1.00 78.50 MOL2 C ATOM 5316 OSER C 131 −12.319 −24.293 −41.170 1.00 74.59 MOL2 O ATOM 5317 N VAL C132 −12.745 −26.502 −40.955 1.00 74.38 MOL2 N ATOM 5318 CA VAL C 132−11.783 −26.644 −39.878 1.00 74.12 MOL2 C ATOM 5319 CB VAL C 132 −12.332−27.379 −38.674 1.00 76.94 MOL2 C ATOM 5320 CG1 VAL C 132 −11.266−27.399 −37.588 1.00 73.30 MOL2 C ATOM 5321 CG2 VAL C 132 −13.578−26.684 −38.170 1.00 80.37 MOL2 C ATOM 5322 C VAL C 132 −10.586 −27.400−40.411 1.00 72.25 MOL2 C ATOM 5323 O VAL C 132 −10.688 −28.531 −40.8901.00 66.86 MOL2 O ATOM 5324 N VAL C 133 −9.441 −26.746 −40.331 1.0072.51 MOL2 N ATOM 5325 CA VAL C 133 −8.217 −27.310 −40.840 1.00 71.90MOL2 C ATOM 5326 CB VAL C 133 −7.479 −26.261 −41.712 1.00 70.60 MOL2 CATOM 5327 CG1 VAL C 133 −6.087 −26.743 −42.083 1.00 64.45 MOL2 C ATOM5328 CG2 VAL C 133 −8.301 −25.984 −42.958 1.00 64.26 MOL2 C ATOM 5329 CVAL C 133 −7.318 −27.824 −39.726 1.00 75.65 MOL2 C ATOM 5330 O VAL C 133−7.151 −27.189 −38.675 1.00 71.43 MOL2 O ATOM 5331 N CYS C 134 −6.751−28.998 −39.984 1.00 78.14 MOL2 N ATOM 5332 CA CYS C 134 −5.856 −29.671−39.058 1.00 75.48 MOL2 C ATOM 5333 C CYS C 134 −4.587 −30.106 −39.8161.00 70.11 MOL2 C ATOM 5334 O CYS C 134 −4.651 −30.847 −40.799 1.0061.50 MOL2 O ATOM 5335 CB CYS C 134 −6.592 −30.873 −38.461 1.00 79.82MOL2 C ATOM 5336 SG CYS C 134 −5.788 −31.675 −37.042 1.00 94.89 MOL2 SATOM 5337 N PHE C 135 −3.439 −29.612 −39.365 1.00 70.18 MOL2 N ATOM 5338CA PHE C 135 −2.160 −29.933 −39.986 1.00 69.90 MOL2 C ATOM 5339 CB PHE C135 −1.278 −28.679 −40.115 1.00 76.29 MOL2 C ATOM 5340 CG PHE C 135−1.846 −27.613 −41.011 1.00 82.52 MOL2 C ATOM 5341 CD1 PHE C 135 −1.694−26.270 −40.685 1.00 81.78 MOL2 C ATOM 5342 CD2 PHE C 135 −2.512 −27.947−42.185 1.00 83.39 MOL2 C ATOM 5343 CE1 PHE C 135 −2.194 −25.281 −41.5091.00 85.51 MOL2 C ATOM 5344 CE2 PHE C 135 −3.014 −26.962 −43.016 1.0086.16 MOL2 C ATOM 5345 CZ PHE C 135 −2.855 −25.626 −42.677 1.00 90.03MOL2 C ATOM 5346 C PHE C 135 −1.415 −30.948 −39.139 1.00 66.86 MOL2 CATOM 5347 O PHE C 135 −1.311 −30.804 −37.919 1.00 64.94 MOL2 O ATOM 5348N LEU C 136 −0.906 −31.979 −39.798 1.00 64.71 MOL2 N ATOM 5349 CA LEU C136 −0.118 −33.015 −39.139 1.00 63.06 MOL2 C ATOM 5350 CB LEU C 136−0.717 −34.401 −39.409 1.00 61.67 MOL2 C ATOM 5351 CG LEU C 136 −2.218−34.640 −39.217 1.00 55.96 MOL2 C ATOM 5352 CD1 LEU C 136 −2.673 −34.038−37.926 1.00 51.18 MOL2 C ATOM 5353 CD2 LEU C 136 −2.974 −34.029 −40.3581.00 61.97 MOL2 C ATOM 5354 C LEU C 136 1.230 −32.879 −39.840 1.00 61.45MOL2 C ATOM 5355 O LEU C 136 1.433 −33.449 −40.913 1.00 65.67 MOL2 OATOM 5356 N ASN C 137 2.149 −32.126 −39.249 1.00 58.41 MOL2 N ATOM 5357CA ASN C 137 3.420 −31.896 −39.916 1.00 64.32 MOL2 C ATOM 5358 CB ASN C137 3.778 −30.404 −39.885 1.00 70.81 MOL2 C ATOM 5359 CG ASN C 137 2.629−29.516 −40.307 1.00 75.64 MOL2 C ATOM 5360 OD1 ASN C 137 2.040 −29.702−41.373 1.00 79.28 MOL2 O ATOM 5361 ND2 ASN C 137 2.306 −28.536 −39.4701.00 77.18 MOL2 N ATOM 5362 C ASN C 137 4.632 −32.663 −39.451 1.00 64.01MOL2 C ATOM 5363 O ASN C 137 4.753 −33.048 −38.291 1.00 67.80 MOL2 OATOM 5364 N ASN C 138 5.531 −32.865 −40.402 1.00 64.58 MOL2 N ATOM 5365CA ASN C 138 6.800 −33.516 −40.160 1.00 68.57 MOL2 C ATOM 5366 CB ASN C138 7.705 −32.506 −39.472 1.00 66.72 MOL2 C ATOM 5367 CG ASN C 138 7.733−31.195 −40.202 1.00 69.15 MOL2 C ATOM 5368 OD1 ASN C 138 8.169 −31.129−41.349 1.00 71.75 MOL2 O ATOM 5369 ND2 ASN C 138 7.248 −30.142 −39.5561.00 77.70 MOL2 N ATOM 5370 C ASN C 138 6.767 −34.817 −39.367 1.00 69.69MOL2 C ATOM 5371 O ASN C 138 7.131 −34.840 −38.185 1.00 74.89 MOL2 OATOM 5372 N PHE C 139 6.352 −35.901 −40.013 1.00 63.17 MOL2 N ATOM 5373CA PHE C 139 6.311 −37.180 −39.330 1.00 60.21 MOL2 C ATOM 5374 CB PHE C139 4.882 −37.496 −38.912 1.00 58.82 MOL2 C ATOM 5375 CG PHE C 139 3.937−37.691 −40.050 1.00 55.93 MOL2 C ATOM 5376 CD1 PHE C 139 3.626 −38.967−40.498 1.00 55.11 MOL2 C ATOM 5377 CD2 PHE C 139 3.298 −36.607 −40.6261.00 55.63 MOL2 C ATOM 5378 CE1 PHE C 139 2.681 −39.158 −41.498 1.0056.66 MOL2 C ATOM 5379 CE2 PHE C 139 2.350 −36.794 −41.631 1.00 58.47MOL2 C ATOM 5380 CZ PHE C 139 2.041 −38.070 −42.064 1.00 52.74 MOL2 CATOM 5381 C PHE C 139 6.892 −38.298 −40.180 1.00 60.49 MOL2 C ATOM 5382O PHE C 139 7.191 −38.093 −41.352 1.00 65.37 MOL2 O ATOM 5383 N TYR C140 7.057 −39.476 −39.584 1.00 56.93 MOL2 N ATOM 5384 CA TYR C 140 7.640−40.617 −40.280 1.00 50.75 MOL2 C ATOM 5385 CB TYR C 140 9.164 −40.461−40.370 1.00 53.03 MOL2 C ATOM 5386 CG TYR C 140 9.813 −41.442 −41.3141.00 56.37 MOL2 C ATOM 5387 CD1 TYR C 140 9.818 −41.211 −42.676 1.0059.38 MOL2 C ATOM 5388 CE1 TYR C 140 10.285 −42.155 −43.565 1.00 59.29MOL2 C ATOM 5389 CD2 TYR C 140 10.313 −42.650 −40.861 1.00 59.76 MOL2 CATOM 5390 CE2 TYR C 140 10.784 −43.603 −41.749 1.00 59.78 MOL2 C ATOM5391 CZ TYR C 140 10.757 −43.348 −43.101 1.00 56.94 MOL2 C ATOM 5392 OHTYR C 140 11.148 −44.301 −44.004 1.00 60.05 MOL2 O ATOM 5393 C TYR C 1407.349 −41.865 −39.484 1.00 50.85 MOL2 C ATOM 5394 O TYR C 140 7.496−41.871 −38.262 1.00 54.51 MOL2 O ATOM 5395 N PRO C 141 6.947 −42.948−40.157 1.00 46.94 MOL2 N ATOM 5396 CD PRO C 141 6.842 −44.281 −39.5551.00 46.87 MOL2 C ATOM 5397 CA PRO C 141 6.760 −43.037 −41.598 1.0050.29 MOL2 C ATOM 5398 CB PRO C 141 6.637 −44.532 −41.838 1.00 54.32MOL2 C ATOM 5399 CG PRO C 141 6.046 −45.016 −40.589 1.00 49.13 MOL2 CATOM 5400 C PRO C 141 5.537 −42.285 −42.067 1.00 57.77 MOL2 C ATOM 5401O PRO C 141 4.907 −41.569 −41.284 1.00 58.00 MOL2 O ATOM 5402 N LYS C142 5.207 −42.469 −43.345 1.00 61.24 MOL2 N ATOM 5403 CA LYS C 142 4.086−41.794 −43.973 1.00 61.92 MOL2 C ATOM 5404 CB LYS C 142 4.259 −41.804−45.488 1.00 68.52 MOL2 C ATOM 5405 CG LYS C 142 4.625 −43.160 −46.0751.00 86.64 MOL2 C ATOM 5406 CD LYS C 142 4.708 −43.117 −47.608 1.0091.64 MOL2 C ATOM 5407 CE LYS C 142 5.222 −44.440 −48.198 1.00 98.10MOL2 C ATOM 5408 NZ LYS C 142 4.341 −45.622 −47.914 1.00 102.50 MOL2 NATOM 5409 C LYS C 142 2.718 −42.331 −43.623 1.00 60.19 MOL2 C ATOM 5410O LYS C 142 1.750 −41.586 −43.648 1.00 65.75 MOL2 O ATOM 5411 N ASP C143 2.614 −43.612 −43.302 1.00 60.86 MOL2 N ATOM 5412 CA ASP C 143 1.302−44.156 −42.968 1.00 66.49 MOL2 C ATOM 5413 CB ASP C 143 1.365 −45.675−42.862 1.00 80.74 MOL2 C ATOM 5414 CG ASP C 143 1.948 −46.312 −44.1181.00 98.49 MOL2 C ATOM 5415 OD1 ASP C 143 1.239 −46.356 −45.150 1.00102.89 MOL2 O ATOM 5416 OD2 ASP C 143 3.125 −46.752 −44.080 1.00 107.17MOL2 O ATOM 5417 C ASP C 143 0.824 −43.535 −41.674 1.00 64.02 MOL2 CATOM 5418 O ASP C 143 1.454 −43.666 −40.626 1.00 70.52 MOL2 O ATOM 5419N ILE C 144 −0.281 −42.810 −41.767 1.00 62.33 MOL2 N ATOM 5420 CA ILE C144 −0.862 −42.140 −40.607 1.00 61.79 MOL2 C ATOM 5421 CB ILE C 144−0.432 −40.688 −40.487 1.00 52.91 MOL2 C ATOM 5422 CG2 ILE C 144 −1.199−39.859 −41.480 1.00 41.58 MOL2 C ATOM 5423 CG1 ILE C 144 −0.771 −40.168−39.093 1.00 48.15 MOL2 C ATOM 5424 CD1 ILE C 144 −0.151 −38.833 −38.7881.00 47.62 MOL2 C ATOM 5425 C ILE C 144 −2.356 −42.117 −40.798 1.0065.02 MOL2 C ATOM 5426 O ILE C 144 −2.839 −42.255 −41.918 1.00 64.19MOL2 O ATOM 5427 N ASN C 145 −3.093 −41.926 −39.714 1.00 68.11 MOL2 NATOM 5428 CA ASN C 145 −4.532 −41.906 −39.837 1.00 76.59 MOL2 C ATOM5429 CB ASN C 145 −5.093 −43.281 −39.473 1.00 86.33 MOL2 C ATOM 5430 CGASN C 145 −6.573 −43.397 −39.768 1.00 100.33 MOL2 C ATOM 5431 OD1 ASN C145 −7.015 −43.141 −40.894 1.00 108.69 MOL2 O ATOM 5432 ND2 ASN C 145−7.353 −43.782 −38.757 1.00 104.92 MOL2 N ATOM 5433 C ASN C 145 −5.179−40.806 −38.999 1.00 79.08 MOL2 C ATOM 5434 O ASN C 145 −4.922 −40.676−37.794 1.00 81.54 MOL2 O ATOM 5435 N VAL C 146 −6.023 −40.013 −39.6571.00 78.50 MOL2 N ATOM 5436 CA VAL C 146 −6.703 −38.898 −39.012 1.0077.82 MOL2 C ATOM 5437 CB VAL C 146 −6.609 −37.632 −39.884 1.00 75.85MOL2 C ATOM 5438 CG1 VAL C 146 −7.477 −37.790 −41.121 1.00 77.98 MOL2 CATOM 5439 CG2 VAL C 146 −7.012 −36.422 −39.085 1.00 76.44 MOL2 C ATOM5440 C VAL C 146 −8.170 −39.222 −38.757 1.00 79.53 MOL2 C ATOM 5441 OVAL C 146 −8.844 −39.818 −39.601 1.00 79.89 MOL2 O ATOM 5442 N LYS C 147−8.651 −38.821 −37.583 1.00 83.36 MOL2 N ATOM 5443 CA LYS C 147 −10.031−39.056 −37.166 1.00 84.28 MOL2 C ATOM 5444 CB LYS C 147 −10.034 −40.026−35.978 1.00 90.58 MOL2 C ATOM 5445 CG LYS C 147 −11.297 −40.862 −35.7991.00 100.75 MOL2 C ATOM 5446 CD LYS C 147 −11.402 −41.970 −36.854 1.00106.03 MOL2 C ATOM 5447 CE LYS C 147 −12.371 −43.079 −36.418 1.00 106.05MOL2 C ATOM 5448 NZ LYS C 147 −11.915 −43.811 −35.193 1.00 99.23 MOL2 NATOM 5449 C LYS C 147 −10.648 −37.718 −36.730 1.00 83.61 MOL2 C ATOM5450 O LYS C 147 −10.072 −37.000 −35.896 1.00 79.83 MOL2 O ATOM 5451 NTRP C 148 −11.806 −37.385 −37.299 1.00 82.15 MOL2 N ATOM 5452 CA TRP C148 −12.518 −36.148 −36.961 1.00 82.38 MOL2 C ATOM 5453 CB TRP C 148−13.112 −35.510 −38.223 1.00 79.87 MOL2 C ATOM 5454 CG TRP C 148 −12.131−34.739 −39.039 1.00 78.56 MOL2 C ATOM 5455 CD2 TRP C 148 −11.536−33.488 −38.691 1.00 74.63 MOL2 C ATOM 5456 CE2 TRP C 148 −10.660−33.138 −39.733 1.00 75.12 MOL2 C ATOM 5457 CE3 TRP C 148 −11.660−32.629 −37.597 1.00 75.81 MOL2 C ATOM 5458 CD1 TRP C 148 −11.607−35.090 −40.252 1.00 75.00 MOL2 C ATOM 5459 NE1 TRP C 148 −10.722−34.132 −40.675 1.00 71.58 MOL2 N ATOM 5460 CZ2 TRP C 148 −9.910 −31.965−39.711 1.00 78.98 MOL2 C ATOM 5461 CZ3 TRP C 148 −10.918 −31.469−37.576 1.00 77.16 MOL2 C ATOM 5462 CH2 TRP C 148 −10.052 −31.146−38.626 1.00 80.07 MOL2 C ATOM 5463 C TRP C 148 −13.662 −36.422 −35.9781.00 86.86 MOL2 C ATOM 5464 O TRP C 148 −14.372 −37.429 −36.105 1.0086.90 MOL2 O ATOM 5465 N LYS C 149 −13.851 −35.532 −35.005 1.00 88.93MOL2 N ATOM 5466 CA LYS C 149 −14.933 −35.708 −34.040 1.00 89.42 MOL2 CATOM 5467 CB LYS C 149 −14.421 −36.397 −32.765 1.00 91.44 MOL2 C ATOM5468 CG LYS C 149 −14.301 −37.924 −32.862 1.00 92.37 MOL2 C ATOM 5469 CDLYS C 149 −13.833 −38.516 −31.527 1.00 97.01 MOL2 C ATOM 5470 CE LYS C149 −13.685 −40.035 −31.572 1.00 94.56 MOL2 C ATOM 5471 NZ LYS C 149−13.188 −40.560 −30.266 1.00 92.95 MOL2 N ATOM 5472 C LYS C 149 −15.657−34.408 −33.676 1.00 91.10 MOL2 C ATOM 5473 O LYS C 149 −15.070 −33.467−33.120 1.00 88.06 MOL2 O ATOM 5474 N ILE C 150 −16.944 −34.378 −34.0181.00 93.01 MOL2 N ATOM 5475 CA ILE C 150 −17.832 −33.246 −33.742 1.0092.66 MOL2 C ATOM 5476 CB ILE C 150 −18.829 −33.022 −34.928 1.00 88.95MOL2 C ATOM 5477 CG2 ILE C 150 −18.145 −32.293 −36.070 1.00 82.58 MOL2 CATOM 5478 CG1 ILE C 150 −19.378 −34.372 −35.410 1.00 85.89 MOL2 C ATOM5479 CD1 ILE C 150 −20.283 −34.287 −36.620 1.00 82.92 MOL2 C ATOM 5480 CILE C 150 −18.627 −33.578 −32.471 1.00 93.45 MOL2 C ATOM 5481 O ILE C150 −19.451 −34.498 −32.470 1.00 92.06 MOL2 O ATOM 5482 N ASP C 151−18.378 −32.836 −31.395 1.00 95.21 MOL2 N ATOM 5483 CA ASP C 151 −19.063−33.075 −30.128 1.00 103.28 MOL2 C ATOM 5484 CB ASP C 151 −20.524−32.594 −30.198 1.00 115.41 MOL2 C ATOM 5485 CG ASP C 151 −20.695−31.151 −29.712 1.00 123.70 MOL2 C ATOM 5486 OD1 ASP C 151 −20.264−30.842 −28.575 1.00 125.67 MOL2 O ATOM 5487 OD2 ASP C 151 −21.266−30.331 −30.463 1.00 127.57 MOL2 O ATOM 5488 C ASP C 151 −19.004 −34.541−29.673 1.00 102.98 MOL2 C ATOM 5489 O ASP C 151 −19.953 −35.064 −29.0701.00 103.40 MOL2 O ATOM 5490 N GLY C 152 −17.886 −35.203 −29.968 1.0099.06 MOL2 N ATOM 5491 CA GLY C 152 −17.721 −36.583 −29.544 1.00 96.11MOL2 C ATOM 5492 C GLY C 152 −17.970 −37.689 −30.553 1.00 94.54 MOL2 CATOM 5493 O GLY C 152 −17.555 −38.829 −30.333 1.00 95.10 MOL2 O ATOM5494 N SER C 153 −18.648 −37.382 −31.651 1.00 93.68 MOL2 N ATOM 5495 CASER C 153 −18.911 −38.406 −32.651 1.00 97.25 MOL2 C ATOM 5496 CB SER C153 −20.401 −38.398 −33.043 1.00 102.40 MOL2 C ATOM 5497 OG SER C 153−20.879 −37.091 −33.319 1.00 104.42 MOL2 O ATOM 5498 C SER C 153 −18.011−38.290 −33.891 1.00 98.07 MOL2 C ATOM 5499 O SER C 153 −17.672 −37.193−34.351 1.00 94.93 MOL2 O ATOM 5500 N GLU C 154 −17.621 −39.448 −34.4121.00 99.80 MOL2 N ATOM 5501 CA GLU C 154 −16.760 −39.555 −35.586 1.00101.67 MOL2 C ATOM 5502 CB GLU C 154 −16.365 −41.028 −35.789 1.00 112.22MOL2 C ATOM 5503 CG GLU C 154 −17.573 −41.987 −35.942 1.00 122.85 MOL2 CATOM 5504 CD GLU C 154 −17.182 −43.460 −36.123 1.00 128.93 MOL2 C ATOM5505 OE1 GLU C 154 −18.094 −44.311 −36.263 1.00 128.05 MOL2 O ATOM 5506OE2 GLU C 154 −15.969 −43.768 −36.125 1.00 132.10 MOL2 O ATOM 5507 C GLUC 154 −17.422 −39.049 −36.867 1.00 100.46 MOL2 C ATOM 5508 O GLU C 154−18.530 −39.473 −37.212 1.00 95.86 MOL2 O ATOM 5509 N ARG C 155 −16.752−38.147 −37.576 1.00 101.89 MOL2 N ATOM 5510 CA ARG C 155 −17.303−37.664 −38.834 1.00 104.81 MOL2 C ATOM 5511 CB ARG C 155 −17.558−36.153 −38.794 1.00 115.43 MOL2 C ATOM 5512 CG ARG C 155 −18.542−35.687 −39.879 1.00 124.32 MOL2 C ATOM 5513 CD ARG C 155 −19.678−36.706 −40.048 1.00 130.47 MOL2 C ATOM 5514 NE ARG C 155 −20.698−36.285 −41.007 1.00 133.53 MOL2 N ATOM 5515 CZ ARG C 155 −21.548−37.114 −41.609 1.00 135.26 MOL2 C ATOM 5516 NH1 ARG C 155 −21.503−38.421 −41.360 1.00 135.19 MOL2 N ATOM 5517 NH2 ARG C 155 −22.452−36.636 −42.454 1.00 132.94 MOL2 N ATOM 5518 C ARG C 155 −16.334 −38.018−39.953 1.00 102.03 MOL2 C ATOM 5519 O ARG C 155 −15.115 −37.886 −39.7961.00 100.80 MOL2 O ATOM 5520 N GLN C 156 −16.872 −38.496 −41.073 1.0099.85 MOL2 N ATOM 5521 CA GLN C 156 −16.021 −38.870 −42.194 1.00 102.60MOL2 C ATOM 5522 CB GLN C 156 −16.088 −40.395 −42.429 1.00 106.25 MOL2 CATOM 5523 CG GLN C 156 −17.039 −40.858 −43.537 1.00 113.94 MOL2 C ATOM5524 CD GLN C 156 −16.388 −40.889 −44.922 1.00 117.43 MOL2 C ATOM 5525OE1 GLN C 156 −17.072 −41.043 −45.941 1.00 117.35 MOL2 O ATOM 5526 NE2GLN C 156 −15.063 −40.756 −44.960 1.00 120.20 MOL2 N ATOM 5527 C GLN C156 −16.382 −38.098 −43.471 1.00 101.69 MOL2 C ATOM 5528 O GLN C 156−15.495 −37.649 −44.211 1.00 102.59 MOL2 O ATOM 5529 N ASN C 157 −17.673−37.919 −43.730 1.00 98.72 MOL2 N ATOM 5530 CA ASN C 157 −18.057 −37.207−44.936 1.00 98.32 MOL2 C ATOM 5531 CB ASN C 157 −19.551 −37.377 −45.2171.00 105.31 MOL2 C ATOM 5532 CG ASN C 157 −19.926 −38.823 −45.526 1.00113.27 MOL2 C ATOM 5533 OD1 ASN C 157 −19.856 −39.694 −44.655 1.00119.33 MOL2 O ATOM 5534 ND2 ASN C 157 −20.320 −39.085 −46.771 1.00116.14 MOL2 N ATOM 5535 C ASN C 157 −17.679 −35.737 −44.852 1.00 96.79MOL2 C ATOM 5536 O ASN C 157 −17.705 −35.126 −43.775 1.00 93.05 MOL2 OATOM 5537 N GLY C 158 −17.300 −35.184 −46.001 1.00 95.37 MOL2 N ATOM5538 CA GLY C 158 −16.906 −33.789 −46.060 1.00 93.14 MOL2 C ATOM 5539 CGLY C 158 −15.480 −33.578 −45.592 1.00 91.67 MOL2 C ATOM 5540 O GLY C158 −15.116 −32.478 −45.165 1.00 95.46 MOL2 O ATOM 5541 N VAL C 159−14.669 −34.629 −45.669 1.00 85.73 MOL2 N ATOM 5542 CA VAL C 159 −13.281−34.540 −45.245 1.00 82.29 MOL2 C ATOM 5543 CB VAL C 159 −12.945 −35.652−44.238 1.00 83.40 MOL2 C ATOM 5544 CG1 VAL C 159 −11.493 −35.546−43.819 1.00 88.32 MOL2 C ATOM 5545 CG2 VAL C 159 −13.848 −35.545−43.025 1.00 82.27 MOL2 C ATOM 5546 C VAL C 159 −12.352 −34.678 −46.4361.00 79.59 MOL2 C ATOM 5547 O VAL C 159 −12.479 −35.624 −47.209 1.0081.26 MOL2 O ATOM 5548 N LEU C 160 −11.428 −33.734 −46.588 1.00 77.19MOL2 N ATOM 5549 CA LEU C 160 −10.471 −33.789 −47.688 1.00 78.45 MOL2 CATOM 5550 CB LEU C 160 −10.703 −32.652 −48.678 1.00 81.34 MOL2 C ATOM5551 CG LEU C 160 −11.919 −32.873 −49.574 1.00 85.85 MOL2 C ATOM 5552CD1 LEU C 160 −11.724 −32.078 −50.861 1.00 88.04 MOL2 C ATOM 5553 CD2LEU C 160 −12.084 −34.361 −49.888 1.00 80.45 MOL2 C ATOM 5554 C LEU C160 −9.037 −33.752 −47.190 1.00 79.38 MOL2 C ATOM 5555 O LEU C 160−8.625 −32.838 −46.459 1.00 79.90 MOL2 O ATOM 5556 N ASN C 161 −8.266−34.748 −47.606 1.00 75.54 MOL2 N ATOM 5557 CA ASN C 161 −6.894 −34.827−47.167 1.00 73.49 MOL2 C ATOM 5558 CB ASN C 161 −6.724 −36.137 −46.4181.00 77.61 MOL2 C ATOM 5559 CG ASN C 161 −7.811 −36.337 −45.382 1.0077.08 MOL2 C ATOM 5560 OD1 ASN C 161 −8.011 −35.489 −44.510 1.00 74.15MOL2 O ATOM 5561 ND2 ASN C 161 −8.528 −37.452 −45.478 1.00 76.33 MOL2 NATOM 5562 C ASN C 161 −5.895 −34.680 −48.305 1.00 70.79 MOL2 C ATOM 5563O ASN C 161 −6.196 −34.991 −49.460 1.00 70.84 MOL2 O ATOM 5564 N SER C162 −4.714 −34.179 −47.960 1.00 66.45 MOL2 N ATOM 5565 CA SER C 162−3.646 −33.957 −48.917 1.00 69.71 MOL2 C ATOM 5566 CB SER C 162 −3.715−32.526 −49.440 1.00 74.54 MOL2 C ATOM 5567 OG SER C 162 −2.530 −32.176−50.132 1.00 82.17 MOL2 O ATOM 5568 C SER C 162 −2.307 −34.175 −48.2391.00 71.75 MOL2 C ATOM 5569 O SER C 162 −2.013 −33.536 −47.228 1.0075.21 MOL2 O ATOM 5570 N TRP C 163 −1.489 −35.060 −48.801 1.00 70.73MOL2 N ATOM 5571 CA TRP C 163 −0.181 −35.358 −48.226 1.00 68.71 MOL2 CATOM 5572 CB TRP C 163 −0.054 −36.864 −48.056 1.00 74.55 MOL2 C ATOM5573 CG TRP C 163 −1.266 −37.475 −47.441 1.00 79.91 MOL2 C ATOM 5574 CD2TRP C 163 −2.469 −37.843 −48.118 1.00 81.33 MOL2 C ATOM 5575 CE2 TRP C163 −3.340 −38.391 −47.152 1.00 83.58 MOL2 C ATOM 5576 CE3 TRP C 163−2.896 −37.765 −49.447 1.00 86.25 MOL2 C ATOM 5577 CD1 TRP C 163 −1.448−37.799 −46.127 1.00 80.97 MOL2 C ATOM 5578 NE1 TRP C 163 −2.690 −38.353−45.946 1.00 80.59 MOL2 N ATOM 5579 CZ2 TRP C 163 −4.615 −38.862 −47.4721.00 87.30 MOL2 C ATOM 5580 CZ3 TRP C 163 −4.167 −38.236 −49.768 1.0092.21 MOL2 C ATOM 5581 CH2 TRP C 163 −5.010 −38.777 −48.783 1.00 90.22MOL2 C ATOM 5582 C TRP C 163 0.951 −34.840 −49.107 1.00 61.85 MOL2 CATOM 5583 O TRP C 163 0.816 −34.778 −50.319 1.00 65.33 MOL2 O ATOM 5584N THR C 164 2.070 −34.470 −48.506 1.00 55.65 MOL2 N ATOM 5585 CA THR C164 3.194 −33.992 −49.292 1.00 56.35 MOL2 C ATOM 5586 CB THR C 164 3.838−32.807 −48.622 1.00 53.31 MOL2 C ATOM 5587 OG1 THR C 164 4.522 −33.230−47.432 1.00 41.23 MOL2 O ATOM 5588 CG2 THR C 164 2.774 −31.816 −48.2601.00 56.03 MOL2 C ATOM 5589 C THR C 164 4.245 −35.088 −49.476 1.00 65.48MOL2 C ATOM 5590 O THR C 164 4.087 −36.206 −48.977 1.00 69.34 MOL2 OATOM 5591 N ASP C 165 5.319 −34.779 −50.193 1.00 69.90 MOL2 N ATOM 5592CA ASP C 165 6.356 −35.772 −50.406 1.00 74.84 MOL2 C ATOM 5593 CB ASP C165 6.834 −35.720 −51.848 1.00 89.04 MOL2 C ATOM 5594 CG ASP C 165 5.751−36.151 −52.825 1.00 103.78 MOL2 C ATOM 5595 OD1 ASP C 165 5.047 −37.148−52.521 1.00 102.42 MOL2 O ATOM 5596 OD2 ASP C 165 5.609 −35.502 −53.8921.00 113.76 MOL2 O ATOM 5597 C ASP C 165 7.514 −35.596 −49.444 1.0071.07 MOL2 C ATOM 5598 O ASP C 165 7.635 −34.570 −48.790 1.00 69.30 MOL2O ATOM 5599 N GLN C 166 8.352 −36.617 −49.340 1.00 67.93 MOL2 N ATOM5600 CA GLN C 166 9.495 −36.563 −48.443 1.00 70.95 MOL2 C ATOM 5601 CBGLN C 166 10.494 −37.653 −48.845 1.00 75.14 MOL2 C ATOM 5602 CG GLN C166 11.259 −38.271 −47.694 1.00 69.86 MOL2 C ATOM 5603 CD GLN C 16611.247 −39.774 −47.778 1.00 73.46 MOL2 C ATOM 5604 OE1 GLN C 166 10.985−40.451 −46.791 1.00 74.44 MOL2 O ATOM 5605 NE2 GLN C 166 11.523 −40.311−48.966 1.00 71.21 MOL2 N ATOM 5606 C GLN C 166 10.177 −35.183 −48.4721.00 69.79 MOL2 C ATOM 5607 O GLN C 166 10.872 −34.842 −49.426 1.0073.54 MOL2 O ATOM 5608 N ASP C 167 9.980 −34.395 −47.423 1.00 65.97 MOL2N ATOM 5609 CA ASP C 167 10.571 −33.069 −47.341 1.00 70.13 MOL2 C ATOM5610 CB ASP C 167 10.181 −32.413 −46.005 1.00 77.64 MOL2 C ATOM 5611 CGASP C 167 10.426 −30.896 −45.981 1.00 83.32 MOL2 C ATOM 5612 OD1 ASP C167 9.714 −30.161 −46.709 1.00 84.29 MOL2 O ATOM 5613 OD2 ASP C 16711.324 −30.442 −45.228 1.00 76.26 MOL2 O ATOM 5614 C ASP C 167 12.088−33.127 −47.465 1.00 72.07 MOL2 C ATOM 5615 O ASP C 167 12.775 −33.505−46.527 1.00 70.94 MOL2 O ATOM 5616 N SER C 168 12.592 −32.741 −48.6311.00 79.29 MOL2 N ATOM 5617 CA SER C 168 14.025 −32.704 −48.936 1.0088.10 MOL2 C ATOM 5618 CB SER C 168 14.262 −31.612 −49.976 1.00 93.34MOL2 C ATOM 5619 OG SER C 168 13.535 −30.441 −49.622 1.00 98.24 MOL2 OATOM 5620 C SER C 168 14.979 −32.486 −47.749 1.00 89.30 MOL2 C ATOM 5621O SER C 168 16.055 −33.097 −47.683 1.00 91.01 MOL2 O ATOM 5622 N LYS C169 14.587 −31.611 −46.825 1.00 88.09 MOL2 N ATOM 5623 CA LYS C 16915.400 −31.303 −45.649 1.00 92.44 MOL2 C ATOM 5624 CB LYS C 169 14.773−30.140 −44.879 1.00 100.12 MOL2 C ATOM 5625 CG LYS C 169 14.461 −28.908−45.715 1.00 116.06 MOL2 C ATOM 5626 CD LYS C 169 13.644 −27.890 −44.9071.00 126.27 MOL2 C ATOM 5627 CE LYS C 169 13.220 −26.682 −45.747 1.00128.00 MOL2 C ATOM 5628 NZ LYS C 169 12.237 −25.821 −45.023 1.00 129.09MOL2 N ATOM 5629 C LYS C 169 15.571 −32.482 −44.677 1.00 90.77 MOL2 CATOM 5630 O LYS C 169 16.654 −33.078 −44.572 1.00 93.81 MOL2 O ATOM 5631N ASP C 170 14.484 −32.803 −43.977 1.00 82.39 MOL2 N ATOM 5632 CA ASP C170 14.441 −33.866 −42.969 1.00 71.05 MOL2 C ATOM 5633 CB ASP C 17013.663 −33.344 −41.763 1.00 69.29 MOL2 C ATOM 5634 CG ASP C 170 12.240−32.947 −42.127 1.00 68.19 MOL2 C ATOM 5635 OD1 ASP C 170 11.489 −32.485−41.239 1.00 60.97 MOL2 O ATOM 5636 OD2 ASP C 170 11.873 −33.106 −43.3131.00 63.76 MOL2 O ATOM 5637 C ASP C 170 13.815 −35.200 −43.429 1.0065.02 MOL2 C ATOM 5638 O ASP C 170 13.528 −36.080 −42.619 1.00 60.81MOL2 O ATOM 5639 N SER C 171 13.578 −35.333 −44.722 1.00 59.46 MOL2 NATOM 5640 CA SER C 171 13.022 −36.553 −45.270 1.00 54.15 MOL2 C ATOM5641 CB SER C 171 14.138 −37.597 −45.292 1.00 51.78 MOL2 C ATOM 5642 OGSER C 171 15.347 −36.995 −45.758 1.00 42.36 MOL2 O ATOM 5643 C SER C 17111.754 −37.064 −44.563 1.00 51.92 MOL2 C ATOM 5644 O SER C 171 11.426−38.243 −44.642 1.00 54.05 MOL2 O ATOM 5645 N THR C 172 11.031 −36.157−43.901 1.00 51.32 MOL2 N ATOM 5646 CA THR C 172 9.772 −36.480 −43.1971.00 54.67 MOL2 C ATOM 5647 CB THR C 172 9.515 −35.542 −42.014 1.0059.05 MOL2 C ATOM 5648 OG1 THR C 172 9.148 −34.247 −42.520 1.00 59.61MOL2 O ATOM 5649 CG2 THR C 172 10.749 −35.422 −41.132 1.00 62.03 MOL2 CATOM 5650 C THR C 172 8.553 −36.284 −44.103 1.00 52.87 MOL2 C ATOM 5651O THR C 172 8.685 −35.951 −45.270 1.00 63.57 MOL2 O ATOM 5652 N TYR C173 7.358 −36.465 −43.557 1.00 48.76 MOL2 N ATOM 5653 CA TYR C 173 6.135−36.276 −44.331 1.00 49.61 MOL2 C ATOM 5654 CB TYR C 173 5.379 −37.598−44.470 1.00 47.69 MOL2 C ATOM 5655 CG TYR C 173 6.084 −38.569 −45.3701.00 58.69 MOL2 C ATOM 5656 CD1 TYR C 173 7.430 −38.840 −45.194 1.0065.87 MOL2 C ATOM 5657 CE1 TYR C 173 8.131 −39.643 −46.075 1.00 67.64MOL2 C ATOM 5658 CD2 TYR C 173 5.444 −39.145 −46.450 1.00 64.37 MOL2 CATOM 5659 CE2 TYR C 173 6.140 −39.959 −47.341 1.00 69.47 MOL2 C ATOM5660 CZ TYR C 173 7.488 −40.194 −47.145 1.00 67.62 MOL2 C ATOM 5661 OHTYR C 173 8.222 −40.938 −48.034 1.00 72.08 MOL2 O ATOM 5662 C TYR C 1735.251 −35.249 −43.636 1.00 54.70 MOL2 C ATOM 5663 O TYR C 173 5.546−34.820 −42.520 1.00 58.65 MOL2 O ATOM 5664 N SER C 174 4.175 −34.841−44.301 1.00 55.44 MOL2 N ATOM 5665 CA SER C 174 3.233 −33.882 −43.7251.00 51.27 MOL2 C ATOM 5666 CB SER C 174 3.734 −32.449 −43.893 1.0051.27 MOL2 C ATOM 5667 OG SER C 174 4.931 −32.233 −43.160 1.00 52.62MOL2 O ATOM 5668 C SER C 174 1.885 −34.051 −44.395 1.00 50.66 MOL2 CATOM 5669 O SER C 174 1.804 −34.427 −45.569 1.00 49.82 MOL2 O ATOM 5670N MET C 175 0.825 −33.791 −43.643 1.00 53.28 MOL2 N ATOM 5671 CA MET C175 −0.531 −33.941 −44.169 1.00 61.42 MOL2 C ATOM 5672 CB MET C 175−1.126 −35.277 −43.738 1.00 56.48 MOL2 C ATOM 5673 CG MET C 175 −2.586−35.392 −44.081 1.00 50.77 MOL2 C ATOM 5674 SD MET C 175 −3.360 −36.575−43.020 1.00 66.93 MOL2 S ATOM 5675 CE MET C 175 −4.501 −37.411 −44.1431.00 53.52 MOL2 C ATOM 5676 C MET C 175 −1.470 −32.833 −43.708 1.0064.71 MOL2 C ATOM 5677 O MET C 175 −1.327 −32.312 −42.599 1.00 69.75MOL2 O ATOM 5678 N SER C 176 −2.442 −32.491 −44.549 1.00 62.56 MOL2 NATOM 5679 CA SER C 176 −3.388 −31.440 −44.203 1.00 68.23 MOL2 C ATOM5680 CB SER C 176 −3.102 −30.187 −45.050 1.00 72.17 MOL2 C ATOM 5681 OGSER C 176 −3.896 −29.081 −44.649 1.00 75.40 MOL2 O ATOM 5682 C SER C 176−4.847 −31.879 −44.375 1.00 70.83 MOL2 C ATOM 5683 O SER C 176 −5.383−31.908 −45.492 1.00 72.93 MOL2 O ATOM 5684 N SER C 177 −5.490 −32.223−43.262 1.00 71.42 MOL2 N ATOM 5685 CA SER C 177 −6.890 −32.635 −43.3121.00 70.80 MOL2 C ATOM 5686 CB SER C 177 −7.183 −33.735 −42.296 1.0066.64 MOL2 C ATOM 5687 OG SER C 177 −8.517 −34.185 −42.443 1.00 57.08MOL2 O ATOM 5688 C SER C 177 −7.799 −31.438 −43.037 1.00 73.96 MOL2 CATOM 5689 O SER C 177 −7.594 −30.681 −42.081 1.00 70.44 MOL2 O ATOM 5690N THR C 178 −8.805 −31.267 −43.888 1.00 79.89 MOL2 N ATOM 5691 CA THR C178 −9.736 −30.153 −43.736 1.00 83.31 MOL2 C ATOM 5692 CB THR C 178−9.576 −29.107 −44.884 1.00 89.72 MOL2 C ATOM 5693 OG1 THR C 178 −8.203−28.704 −44.989 1.00 98.13 MOL2 O ATOM 5694 CG2 THR C 178 −10.426−27.878 −44.606 1.00 86.77 MOL2 C ATOM 5695 C THR C 178 −11.193 −30.620−43.694 1.00 81.67 MOL2 C ATOM 5696 O THR C 178 −11.696 −31.244 −44.6421.00 75.38 MOL2 O ATOM 5697 N LEU C 179 −11.861 −30.327 −42.578 1.0082.75 MOL2 N ATOM 5698 CA LEU C 179 −13.267 −30.688 −42.426 1.00 83.11MOL2 C ATOM 5699 CB LEU C 179 −13.638 −30.983 −40.974 1.00 79.30 MOL2 CATOM 5700 CG LEU C 179 −14.785 −32.000 −40.909 1.00 73.97 MOL2 C ATOM5701 CD1 LEU C 179 −15.327 −32.017 −39.512 1.00 73.79 MOL2 C ATOM 5702CD2 LEU C 179 −15.884 −31.665 −41.912 1.00 61.79 MOL2 C ATOM 5703 C LEUC 179 −14.095 −29.511 −42.904 1.00 84.35 MOL2 C ATOM 5704 O LEU C 179−14.118 −28.453 −42.267 1.00 81.74 MOL2 O ATOM 5705 N THR C 180 −14.773−29.707 −44.028 1.00 83.44 MOL2 N ATOM 5706 CA THR C 180 −15.598 −28.673−44.613 1.00 85.77 MOL2 C ATOM 5707 CB THR C 180 −15.359 −28.592 −46.1581.00 88.62 MOL2 C ATOM 5708 OG1 THR C 180 −16.342 −27.747 −46.763 1.0086.12 MOL2 O ATOM 5709 CG2 THR C 180 −15.426 −29.975 −46.799 1.00 92.07MOL2 C ATOM 5710 C THR C 180 −17.069 −28.931 −44.315 1.00 89.54 MOL2 CATOM 5711 O THR C 180 −17.636 −29.952 −44.713 1.00 87.13 MOL2 O ATOM5712 N LEU C 181 −17.675 −28.001 −43.586 1.00 95.28 MOL2 N ATOM 5713 CALEU C 181 −19.087 −28.100 −43.247 1.00 100.55 MOL2 C ATOM 5714 CB LEU C181 −19.253 −28.373 −41.744 1.00 101.03 MOL2 C ATOM 5715 CG LEU C 181−18.023 −28.175 −40.848 1.00 101.25 MOL2 C ATOM 5716 CD1 LEU C 181−17.724 −26.683 −40.687 1.00 98.19 MOL2 C ATOM 5717 CD2 LEU C 181−18.277 −28.825 −39.491 1.00 97.16 MOL2 C ATOM 5718 C LEU C 181 −19.816−26.819 −43.671 1.00 104.10 MOL2 C ATOM 5719 O LEU C 181 −19.203 −25.888−44.214 1.00 102.19 MOL2 O ATOM 5720 N THR C 182 −21.129 −26.786 −43.4631.00 108.71 MOL2 N ATOM 5721 CA THR C 182 −21.913 −25.604 −43.813 1.00111.41 MOL2 C ATOM 5722 CB THR C 182 −23.308 −25.961 −44.372 1.00 113.22MOL2 C ATOM 5723 OG1 THR C 182 −24.150 −26.433 −43.309 1.00 114.49 MOL2O ATOM 5724 CG2 THR C 182 −23.183 −27.028 −45.453 1.00 111.82 MOL2 CATOM 5725 C THR C 182 −22.103 −24.784 −42.546 1.00 112.00 MOL2 C ATOM5726 O THR C 182 −22.343 −25.336 −41.471 1.00 111.30 MOL2 O ATOM 5727 NLYS C 183 −21.985 −23.469 −42.672 1.00 113.84 MOL2 N ATOM 5728 CA LYS C183 −22.141 −22.578 −41.528 1.00 116.17 MOL2 C ATOM 5729 CB LYS C 183−22.474 −21.164 −42.017 1.00 122.32 MOL2 C ATOM 5730 CG LYS C 183−22.940 −20.217 −40.928 1.00 127.78 MOL2 C ATOM 5731 CD LYS C 183−22.291 −18.853 −41.076 1.00 133.45 MOL2 C ATOM 5732 CE LYS C 183−20.832 −18.885 −40.633 1.00 134.43 MOL2 C ATOM 5733 NZ LYS C 183−19.983 −19.798 −41.448 1.00 135.94 MOL2 N ATOM 5734 C LYS C 183 −23.223−23.058 −40.560 1.00 114.83 MOL2 C ATOM 5735 O LYS C 183 −23.110 −22.879−39.343 1.00 114.09 MOL2 O ATOM 5736 N ASP C 184 −24.266 −23.673 −41.1101.00 112.78 MOL2 N ATOM 5737 CA ASP C 184 −25.374 −24.171 −40.302 1.00111.31 MOL2 C ATOM 5738 CB ASP C 184 −26.502 −24.691 −41.212 1.00 122.40MOL2 C ATOM 5739 CG ASP C 184 −26.976 −23.645 −42.228 1.00 129.47 MOL2 CATOM 5740 OD1 ASP C 184 −27.293 −22.503 −41.819 1.00 130.84 MOL2 O ATOM5741 OD2 ASP C 184 −27.038 −23.972 −43.437 1.00 131.20 MOL2 O ATOM 5742C ASP C 184 −24.913 −25.278 −39.357 1.00 105.04 MOL2 C ATOM 5743 O ASP C184 −24.942 −25.108 −38.133 1.00 99.16 MOL2 O ATOM 5744 N GLU C 185−24.494 −26.402 −39.942 1.00 100.32 MOL2 N ATOM 5745 CA GLU C 185−24.010 −27.568 −39.197 1.00 97.52 MOL2 C ATOM 5746 CB GLU C 185 −23.495−28.630 −40.172 1.00 103.77 MOL2 C ATOM 5747 CG GLU C 185 −24.525−29.640 −40.672 1.00 114.29 MOL2 C ATOM 5748 CD GLU C 185 −24.581−30.906 −39.817 1.00 120.06 MOL2 C ATOM 5749 OE1 GLU C 185 −25.092−31.938 −40.314 1.00 119.67 MOL2 O ATOM 5750 OE2 GLU C 185 −24.122−30.871 −38.651 1.00 121.57 MOL2 O ATOM 5751 C GLU C 185 −22.890 −27.214−38.215 1.00 93.65 MOL2 C ATOM 5752 O GLU C 185 −22.768 −27.818 −37.1431.00 89.39 MOL2 O ATOM 5753 N TYR C 186 −22.061 −26.243 −38.585 1.0091.15 MOL2 N ATOM 5754 CA TYR C 186 −20.969 −25.846 −37.712 1.00 90.99MOL2 C ATOM 5755 CB TYR C 186 −20.048 −24.823 −38.383 1.00 93.51 MOL2 CATOM 5756 CG TYR C 186 −19.012 −24.246 −37.436 1.00 93.52 MOL2 C ATOM5757 CD1 TYR C 186 −19.361 −23.297 −36.486 1.00 97.80 MOL2 C ATOM 5758CE1 TYR C 186 −18.435 −22.797 −35.590 1.00 98.27 MOL2 C ATOM 5759 CD2TYR C 186 −17.698 −24.677 −37.463 1.00 94.43 MOL2 C ATOM 5760 CE2 TYR C186 −16.765 −24.179 −36.568 1.00 96.25 MOL2 C ATOM 5761 CZ TYR C 186−17.142 −23.240 −35.637 1.00 94.84 MOL2 C ATOM 5762 OH TYR C 186 −16.227−22.728 −34.755 1.00 96.28 MOL2 O ATOM 5763 C TYR C 186 −21.510 −25.261−36.424 1.00 93.77 MOL2 C ATOM 5764 O TYR C 186 −20.935 −25.479 −35.3581.00 96.72 MOL2 O ATOM 5765 N GLU C 187 −22.612 −24.518 −36.525 1.0095.78 MOL2 N ATOM 5766 CA GLU C 187 −23.236 −23.877 −35.364 1.00 97.26MOL2 C ATOM 5767 CB GLU C 187 −24.255 −22.825 −35.831 1.00 104.73 MOL2 CATOM 5768 CG GLU C 187 −23.687 −21.655 −36.637 1.00 111.79 MOL2 C ATOM5769 CD GLU C 187 −22.778 −20.739 −35.820 1.00 118.04 MOL2 C ATOM 5770OE1 GLU C 187 −22.470 −19.630 −36.312 1.00 117.06 MOL2 O ATOM 5771 OE2GLU C 187 −22.365 −21.120 −34.699 1.00 121.68 MOL2 O ATOM 5772 C GLU C187 −23.935 −24.864 −34.424 1.00 95.32 MOL2 C ATOM 5773 O GLU C 187−23.872 −24.713 −33.198 1.00 85.41 MOL2 O ATOM 5774 N ARG C 188 −24.597−25.864 −35.016 1.00 97.41 MOL2 N ATOM 5775 CA ARG C 188 −25.340 −26.887−34.277 1.00 98.56 MOL2 C ATOM 5776 CB ARG C 188 −25.955 −27.891 −35.2551.00 97.07 MOL2 C ATOM 5777 CG ARG C 188 −26.790 −27.227 −36.328 1.00104.21 MOL2 C ATOM 5778 CD ARG C 188 −27.252 −28.208 −37.392 1.00 112.70MOL2 C ATOM 5779 NE ARG C 188 −27.661 −27.498 −38.604 1.00 122.18 MOL2 NATOM 5780 CZ ARG C 188 −27.990 −28.087 −39.751 1.00 124.20 MOL2 C ATOM5781 NH1 ARG C 188 −27.962 −29.409 −39.848 1.00 126.54 MOL2 N ATOM 5782NH2 ARG C 188 −28.329 −27.352 −40.807 1.00 121.65 MOL2 N ATOM 5783 C ARGC 188 −24.512 −27.634 −33.229 1.00 100.68 MOL2 C ATOM 5784 O ARG C 188−25.077 −28.256 −32.324 1.00 101.42 MOL2 O ATOM 5785 N HIS C 189 −23.185−27.571 −33.343 1.00 100.30 MOL2 N ATOM 5786 CA HIS C 189 −22.310−28.256 −32.390 1.00 97.49 MOL2 C ATOM 5787 CB HIS C 189 −21.672 −29.472−33.055 1.00 101.41 MOL2 C ATOM 5788 CG HIS C 189 −22.663 −30.382−33.710 1.00 105.48 MOL2 C ATOM 5789 CD2 HIS C 189 −23.194 −31.561−33.308 1.00 106.26 MOL2 C ATOM 5790 ND1 HIS C 189 −23.243 −30.096−34.929 1.00 108.49 MOL2 N ATOM 5791 CE1 HIS C 189 −24.086 −31.061−35.251 1.00 109.87 MOL2 C ATOM 5792 NE2 HIS C 189 −24.075 −31.962−34.285 1.00 111.52 MOL2 N ATOM 5793 C HIS C 189 −21.234 −27.343 −31.8021.00 96.73 MOL2 C ATOM 5794 O HIS C 189 −20.976 −26.254 −32.321 1.0094.15 MOL2 O ATOM 5795 N ASN C 190 −20.593 −27.793 −30.727 1.00 99.11MOL2 N ATOM 5796 CA ASN C 190 −19.589 −26.967 −30.058 1.00 106.33 MOL2 CATOM 5797 CB ASN C 190 −20.060 −26.674 −28.619 1.00 118.99 MOL2 C ATOM5798 CG ASN C 190 −19.356 −25.466 −27.991 1.00 128.44 MOL2 C ATOM 5799OD1 ASN C 190 −18.126 −25.435 −27.877 1.00 132.56 MOL2 O ATOM 5800 ND2ASN C 190 −20.142 −24.470 −27.573 1.00 130.77 MOL2 N ATOM 5801 C ASN C190 −18.143 −27.488 −30.031 1.00 104.71 MOL2 C ATOM 5802 O ASN C 190−17.205 −26.711 −30.257 1.00 102.41 MOL2 O ATOM 5803 N SER C 191 −17.948−28.779 −29.747 1.00 102.86 MOL2 N ATOM 5804 CA SER C 191 −16.588−29.330 −29.688 1.00 98.88 MOL2 C ATOM 5805 CB SER C 191 −16.441 −30.332−28.521 1.00 100.66 MOL2 C ATOM 5806 OG SER C 191 −17.297 −31.457−28.638 1.00 102.00 MOL2 O ATOM 5807 C SER C 191 −16.111 −29.967 −30.9931.00 96.99 MOL2 C ATOM 5808 O SER C 191 −16.820 −30.764 −31.620 1.0092.58 MOL2 O ATOM 5809 N TYR C 192 −14.898 −29.588 −31.394 1.00 96.21MOL2 N ATOM 5810 CA TYR C 192 −14.286 −30.090 −32.621 1.00 94.20 MOL2 CATOM 5811 CB TYR C 192 −14.210 −28.977 −33.670 1.00 98.25 MOL2 C ATOM5812 CG TYR C 192 −15.552 −28.622 −34.269 1.00 102.09 MOL2 C ATOM 5813CD1 TYR C 192 −15.948 −27.297 −34.397 1.00 101.80 MOL2 C ATOM 5814 CE1TYR C 192 −17.182 −26.971 −34.932 1.00 105.33 MOL2 C ATOM 5815 CD2 TYR C192 −16.431 −29.619 −34.698 1.00 100.60 MOL2 C ATOM 5816 CE2 TYR C 192−17.665 −29.300 −35.237 1.00 101.03 MOL2 C ATOM 5817 CZ TYR C 192−18.037 −27.975 −35.352 1.00 104.61 MOL2 C ATOM 5818 OH TYR C 192−19.262 −27.644 −35.894 1.00 103.77 MOL2 O ATOM 5819 C TYR C 192 −12.898−30.635 −32.334 1.00 92.21 MOL2 C ATOM 5820 O TYR C 192 −12.010 −29.911−31.862 1.00 91.97 MOL2 O ATOM 5821 N THR C 193 −12.714 −31.916 −32.6331.00 87.96 MOL2 N ATOM 5822 CA THR C 193 −11.443 −32.574 −32.386 1.0086.37 MOL2 C ATOM 5823 CB THR C 193 −11.602 −33.679 −31.349 1.00 89.98MOL2 C ATOM 5824 OG1 THR C 193 −12.186 −34.830 −31.977 1.00 90.57 MOL2 OATOM 5825 CG2 THR C 193 −12.516 −33.220 −30.222 1.00 95.21 MOL2 C ATOM5826 C THR C 193 −10.875 −33.237 −33.628 1.00 85.96 MOL2 C ATOM 5827 OTHR C 193 −11.608 −33.720 −34.496 1.00 80.74 MOL2 O ATOM 5828 N CYS C194 −9.552 −33.281 −33.680 1.00 88.35 MOL2 N ATOM 5829 CA CYS C 194−8.835 −33.903 −34.778 1.00 86.66 MOL2 C ATOM 5830 C CYS C 194 −7.866−34.866 −34.096 1.00 85.37 MOL2 C ATOM 5831 O CYS C 194 −6.920 −34.446−33.421 1.00 84.98 MOL2 O ATOM 5832 CB CYS C 194 −8.123 −32.815 −35.5711.00 89.98 MOL2 C ATOM 5833 SG CYS C 194 −6.893 −33.362 −36.776 1.0089.61 MOL2 S ATOM 5834 N GLU C 195 −8.138 −36.161 −34.230 1.00 84.20MOL2 N ATOM 5835 CA GLU C 195 −7.300 −37.172 −33.590 1.00 84.87 MOL2 CATOM 5836 CB GLU C 195 −8.159 −38.157 −32.783 1.00 94.33 MOL2 C ATOM5837 CG GLU C 195 −9.060 −37.488 −31.737 1.00 104.52 MOL2 C ATOM 5838 CDGLU C 195 −9.777 −38.477 −30.816 1.00 110.31 MOL2 C ATOM 5839 OE1 GLU C195 −10.283 −39.511 −31.312 1.00 115.56 MOL2 O ATOM 5840 OE2 GLU C 195−9.848 −38.209 −29.594 1.00 111.25 MOL2 O ATOM 5841 C GLU C 195 −6.425−37.930 −34.576 1.00 82.75 MOL2 C ATOM 5842 O GLU C 195 −6.911 −38.637−35.471 1.00 77.51 MOL2 O ATOM 5843 N ALA C 196 −5.117 −37.782 −34.3971.00 81.78 MOL2 N ATOM 5844 CA ALA C 196 −4.157 −38.437 −35.278 1.0078.73 MOL2 C ATOM 5845 CB ALA C 196 −3.095 −37.436 −35.740 1.00 79.10MOL2 C ATOM 5846 C ALA C 196 −3.488 −39.645 −34.634 1.00 76.27 MOL2 CATOM 5847 O ALA C 196 −2.815 −39.527 −33.599 1.00 78.76 MOL2 O ATOM 5848N THR C 197 −3.687 −40.806 −35.258 1.00 69.31 MOL2 N ATOM 5849 CA THR C197 −3.105 −42.066 −34.793 1.00 65.11 MOL2 C ATOM 5850 CB THR C 197−4.145 −43.221 −34.890 1.00 64.89 MOL2 C ATOM 5851 OG1 THR C 197 −4.013−44.073 −33.746 1.00 72.06 MOL2 O ATOM 5852 CG2 THR C 197 −3.940 −44.053−36.150 1.00 56.49 MOL2 C ATOM 5853 C THR C 197 −1.853 −42.402 −35.6341.00 64.02 MOL2 C ATOM 5854 O THR C 197 −1.904 −42.476 −36.866 1.0054.75 MOL2 O ATOM 5855 N HIS C 198 −0.729 −42.616 −34.955 1.00 66.83MOL2 N ATOM 5856 CA HIS C 198 0.538 −42.882 −35.633 1.00 64.57 MOL2 CATOM 5857 CB HIS C 198 1.261 −41.535 −35.811 1.00 62.18 MOL2 C ATOM 5858CG HIS C 198 2.485 −41.593 −36.668 1.00 63.38 MOL2 C ATOM 5859 CD2 HIS C198 3.764 −41.223 −36.417 1.00 60.84 MOL2 C ATOM 5860 ND1 HIS C 1982.460 −42.024 −37.978 1.00 62.33 MOL2 N ATOM 5861 CE1 HIS C 198 3.671−41.916 −38.495 1.00 63.38 MOL2 C ATOM 5862 NE2 HIS C 198 4.480 −41.432−37.570 1.00 60.65 MOL2 N ATOM 5863 C HIS C 198 1.449 −43.895 −34.9091.00 63.67 MOL2 C ATOM 5864 O HIS C 198 1.548 −43.913 −33.682 1.00 70.98MOL2 O ATOM 5865 N LYS C 199 2.110 −44.729 −35.699 1.00 61.78 MOL2 NATOM 5866 CA LYS C 199 3.030 −45.756 −35.219 1.00 56.62 MOL2 C ATOM 5867CB LYS C 199 3.878 −46.232 −36.402 1.00 61.39 MOL2 C ATOM 5868 CG LYS C199 5.123 −47.018 −36.059 1.00 58.85 MOL2 C ATOM 5869 CD LYS C 199 5.719−47.591 −37.335 1.00 58.87 MOL2 C ATOM 5870 CE LYS C 199 7.112 −48.137−37.114 1.00 61.59 MOL2 C ATOM 5871 NZ LYS C 199 7.774 −48.382 −38.4231.00 69.57 MOL2 N ATOM 5872 C LYS C 199 3.925 −45.310 −34.068 1.00 53.02MOL2 C ATOM 5873 O LYS C 199 4.378 −46.128 −33.270 1.00 55.72 MOL2 OATOM 5874 N THR C 200 4.173 −44.012 −33.980 1.00 47.42 MOL2 N ATOM 5875CA THR C 200 5.010 −43.455 −32.925 1.00 55.51 MOL2 C ATOM 5876 CB THR C200 5.255 −41.963 −33.182 1.00 57.59 MOL2 C ATOM 5877 OG1 THR C 2004.061 −41.375 −33.715 1.00 62.14 MOL2 O ATOM 5878 CG2 THR C 200 6.391−41.767 −34.147 1.00 57.64 MOL2 C ATOM 5879 C THR C 200 4.451 −43.598−31.496 1.00 58.33 MOL2 C ATOM 5880 O THR C 200 5.201 −43.513 −30.5131.00 56.11 MOL2 O ATOM 5881 N SER C 201 3.142 −43.789 −31.376 1.00 58.57MOL2 N ATOM 5882 CA SER C 201 2.535 −43.917 −30.062 1.00 65.13 MOL2 CATOM 5883 CB SER C 201 2.133 −42.551 −29.498 1.00 75.06 MOL2 C ATOM 5884OG SER C 201 1.660 −42.651 −28.155 1.00 76.72 MOL2 O ATOM 5885 C SER C201 1.316 −44.797 −30.084 1.00 68.79 MOL2 C ATOM 5886 O SER C 201 0.698−45.002 −31.124 1.00 71.76 MOL2 O ATOM 5887 N THR C 202 0.981 −45.301−28.902 1.00 71.34 MOL2 N ATOM 5888 CA THR C 202 −0.160 −46.179 −28.6831.00 66.29 MOL2 C ATOM 5889 CB THR C 202 0.122 −47.043 −27.496 1.0061.94 MOL2 C ATOM 5890 OG1 THR C 202 0.569 −46.207 −26.414 1.00 61.91MOL2 O ATOM 5891 CG2 THR C 202 1.203 −48.029 −27.834 1.00 62.11 MOL2 CATOM 5892 C THR C 202 −1.391 −45.338 −28.380 1.00 71.53 MOL2 C ATOM 5893O THR C 202 −2.532 −45.799 −28.497 1.00 68.75 MOL2 O ATOM 5894 N SER C203 −1.132 −44.095 −27.985 1.00 74.60 MOL2 N ATOM 5895 CA SER C 203−2.175 −43.149 −27.637 1.00 75.06 MOL2 C ATOM 5896 CB SER C 203 −1.944−42.627 −26.207 1.00 78.78 MOL2 C ATOM 5897 OG SER C 203 −0.582 −42.302−25.977 1.00 74.75 MOL2 O ATOM 5898 C SER C 203 −2.184 −41.999 −28.6281.00 73.19 MOL2 C ATOM 5899 O SER C 203 −1.217 −41.237 −28.701 1.0072.48 MOL2 O ATOM 5900 N PRO C 204 −3.283 −41.869 −29.405 1.00 74.35MOL2 N ATOM 5901 CD PRO C 204 −4.374 −42.866 −29.369 1.00 74.62 MOL2 CATOM 5902 CA PRO C 204 −3.554 −40.854 −30.436 1.00 70.15 MOL2 C ATOM5903 CB PRO C 204 −5.025 −41.084 −30.763 1.00 67.10 MOL2 C ATOM 5904 CGPRO C 204 −5.146 −42.573 −30.652 1.00 69.63 MOL2 C ATOM 5905 C PRO C 204−3.308 −39.427 −29.989 1.00 69.69 MOL2 C ATOM 5906 O PRO C 204 −3.640−39.063 −28.858 1.00 72.58 MOL2 O ATOM 5907 N ILE C 205 −2.713 −38.628−30.874 1.00 70.09 MOL2 N ATOM 5908 CA ILE C 205 −2.458 −37.225 −30.5701.00 71.17 MOL2 C ATOM 5909 CB ILE C 205 −1.315 −36.633 −31.448 1.0067.23 MOL2 C ATOM 5910 CG2 ILE C 205 −1.212 −35.133 −31.230 1.00 64.64MOL2 C ATOM 5911 CG1 ILE C 205 0.022 −37.289 −31.075 1.00 71.12 MOL2 CATOM 5912 CD1 ILE C 205 1.259 −36.419 −31.340 1.00 70.56 MOL2 C ATOM5913 C ILE C 205 −3.782 −36.535 −30.873 1.00 73.78 MOL2 C ATOM 5914 OILE C 205 −4.331 −36.671 −31.977 1.00 67.96 MOL2 O ATOM 5915 N VAL C 206−4.317 −35.829 −29.879 1.00 76.89 MOL2 N ATOM 5916 CA VAL C 206 −5.593−35.160 −30.060 1.00 81.99 MOL2 C ATOM 5917 CB VAL C 206 −6.659 −35.771−29.128 1.00 76.92 MOL2 C ATOM 5918 CG1 VAL C 206 −8.023 −35.259 −29.5061.00 83.47 MOL2 C ATOM 5919 CG2 VAL C 206 −6.638 −37.266 −29.228 1.0074.77 MOL2 C ATOM 5920 C VAL C 206 −5.521 −33.652 −29.817 1.00 87.24MOL2 C ATOM 5921 O VAL C 206 −4.991 −33.194 −28.790 1.00 88.17 MOL2 OATOM 5922 N LYS C 207 −6.041 −32.888 −30.777 1.00 86.74 MOL2 N ATOM 5923CA LYS C 207 −6.074 −31.437 −30.668 1.00 89.73 MOL2 C ATOM 5924 CB LYS C207 −5.084 −30.790 −31.640 1.00 92.01 MOL2 C ATOM 5925 CG LYS C 207−3.610 −31.037 −31.305 1.00 90.07 MOL2 C ATOM 5926 CD LYS C 207 −3.231−30.490 −29.936 1.00 94.48 MOL2 C ATOM 5927 CE LYS C 207 −1.722 −30.567−29.694 1.00 97.81 MOL2 C ATOM 5928 NZ LYS C 207 −1.303 −30.034 −28.3551.00 99.93 MOL2 N ATOM 5929 C LYS C 207 −7.502 −31.021 −30.990 1.0093.06 MOL2 C ATOM 5930 O LYS C 207 −8.111 −31.550 −31.929 1.00 90.15MOL2 O ATOM 5931 N SER C 208 −8.042 −30.098 −30.191 1.00 95.64 MOL2 NATOM 5932 CA SER C 208 −9.418 −29.633 −30.376 1.00 96.16 MOL2 C ATOM5933 CB SER C 208 −10.400 −30.478 −29.550 1.00 92.40 MOL2 C ATOM 5934 OGSER C 208 −10.301 −31.851 −29.858 1.00 86.23 MOL2 O ATOM 5935 C SER C208 −9.592 −28.186 −29.964 1.00 98.80 MOL2 C ATOM 5936 O SER C 208−8.657 −27.538 −29.490 1.00 96.21 MOL2 O ATOM 5937 N PHE C 209 −10.818−27.703 −30.126 1.00 104.94 MOL2 N ATOM 5938 CA PHE C 209 −11.165−26.331 −29.788 1.00 112.91 MOL2 C ATOM 5939 CB PHE C 209 −10.646−25.379 −30.867 1.00 119.37 MOL2 C ATOM 5940 CG PHE C 209 −11.603−25.205 −32.013 1.00 125.03 MOL2 C ATOM 5941 CD1 PHE C 209 −12.188−23.975 −32.261 1.00 127.55 MOL2 C ATOM 5942 CD2 PHE C 209 −11.974−26.289 −32.796 1.00 127.39 MOL2 C ATOM 5943 CE1 PHE C 209 −13.128−23.832 −33.264 1.00 132.81 MOL2 C ATOM 5944 CE2 PHE C 209 −12.913−26.151 −33.798 1.00 131.06 MOL2 C ATOM 5945 CZ PHE C 209 −13.492−24.924 −34.033 1.00 134.21 MOL2 C ATOM 5946 C PHE C 209 −12.692 −26.208−29.732 1.00 116.65 MOL2 C ATOM 5947 O PHE C 209 −13.413 −26.882 −30.4861.00 114.04 MOL2 O ATOM 5948 N ASN C 210 −13.179 −25.343 −28.843 1.00119.28 MOL2 N ATOM 5949 CA ASN C 210 −14.613 −25.107 −28.715 1.00 122.10MOL2 C ATOM 5950 CB ASN C 210 −15.063 −25.285 −27.266 1.00 122.85 MOL2 CATOM 5951 CG ASN C 210 −15.326 −26.733 −26.920 1.00 124.32 MOL2 C ATOM5952 OD1 ASN C 210 −16.123 −27.399 −27.580 1.00 120.86 MOL2 O ATOM 5953ND2 ASN C 210 −14.659 −27.229 −25.884 1.00 126.41 MOL2 N ATOM 5954 C ASNC 210 −14.945 −23.697 −29.188 1.00 125.34 MOL2 C ATOM 5955 O ASN C 210−14.053 −22.852 −29.316 1.00 124.68 MOL2 O ATOM 5956 N ARG C 211 −16.228−23.448 −29.445 1.00 130.51 MOL2 N ATOM 5957 CA ARG C 211 −16.687−22.137 −29.905 1.00 135.75 MOL2 C ATOM 5958 CB ARG C 211 −18.032−22.273 −30.626 1.00 135.55 MOL2 C ATOM 5959 CG ARG C 211 −18.058−23.334 −31.715 1.00 138.83 MOL2 C ATOM 5960 CD ARG C 211 −19.445−23.492 −32.338 1.00 143.96 MOL2 C ATOM 5961 NE ARG C 211 −20.477−23.824 −31.355 1.00 150.84 MOL2 N ATOM 5962 CZ ARG C 211 −21.122−22.932 −30.603 1.00 156.30 MOL2 C ATOM 5963 NH1 ARG C 211 −20.850−21.638 −30.717 1.00 159.23 MOL2 N ATOM 5964 NH2 ARG C 211 −22.037−23.334 −29.727 1.00 157.52 MOL2 N ATOM 5965 C ARG C 211 −16.825 −21.130−28.756 1.00 141.28 MOL2 C ATOM 5966 O ARG C 211 −17.563 −21.351 −27.7871.00 138.31 MOL2 O ATOM 5967 N ASN C 212 −16.102 −20.022 −28.893 1.00149.64 MOL2 N ATOM 5968 CA ASN C 212 −16.077 −18.930 −27.925 1.00 157.26MOL2 C ATOM 5969 CB ASN C 212 −14.645 −18.774 −27.385 1.00 158.65 MOL2 CATOM 5970 CG ASN C 212 −13.580 −18.869 −28.491 1.00 160.07 MOL2 C ATOM5971 OD1 ASN C 212 −13.470 −17.989 −29.352 1.00 159.67 MOL2 O ATOM 5972ND2 ASN C 212 −12.799 −19.947 −28.468 1.00 157.43 MOL2 N ATOM 5973 C ASNC 212 −16.525 −17.643 −28.633 1.00 162.36 MOL2 C ATOM 5974 O ASN C 212−17.142 −16.760 −28.027 1.00 162.64 MOL2 O ATOM 5975 N GLU C 213 −16.193−17.561 −29.923 1.00 168.08 MOL2 N ATOM 5976 CA GLU C 213 −16.534−16.432 −30.794 1.00 172.24 MOL2 C ATOM 5977 CB GLU C 213 −18.060−16.334 −30.957 1.00 174.81 MOL2 C ATOM 5978 CG GLU C 213 −18.588−16.676 −32.363 1.00 178.79 MOL2 C ATOM 5979 CD GLU C 213 −18.485−18.160 −32.725 1.00 180.90 MOL2 C ATOM 5980 OE1 GLU C 213 −19.059−18.999 −31.995 1.00 182.92 MOL2 O ATOM 5981 OE2 GLU C 213 −17.840−18.486 −33.748 1.00 179.09 MOL2 O ATOM 5982 C GLU C 213 −15.981 −15.067−30.379 1.00 173.25 MOL2 C ATOM 5983 O GLU C 213 −16.527 −14.402 −29.4991.00 173.91 MOL2 O ATOM 5984 N CYS C 214 −14.900 −14.653 −31.034 1.00174.34 MOL2 N ATOM 5985 CA CYS C 214 −14.271 −13.364 −30.765 1.00 176.87MOL2 C ATOM 5986 CB CYS C 214 −13.684 −13.328 −29.352 1.00 177.45 MOL2 CATOM 5987 SG CYS C 214 −14.578 −12.272 −28.158 1.00 178.63 MOL2 S ATOM5988 C CYS C 214 −13.166 −13.089 −31.782 1.00 177.57 MOL2 C ATOM 5989 OCYS C 214 −12.996 −13.915 −32.703 1.00 177.03 MOL2 O ATOM 5990 OXT CYS C214 −12.485 −12.051 −31.648 1.00 178.26 MOL2 O ATOM 5991 CB GLU D 122.314 −35.760 −79.347 1.00 84.87 MOL2 C ATOM 5992 CG GLU D 1 22.427−36.327 −80.787 1.00 101.66 MOL2 C ATOM 5993 CD GLU D 1 23.307 −35.500−81.745 1.00 109.46 MOL2 C ATOM 5994 OE1 GLU D 1 23.251 −35.754 −82.9811.00 102.99 MOL2 O ATOM 5995 OE2 GLU D 1 24.058 −34.614 −81.266 1.00111.21 MOL2 O ATOM 5996 C GLU D 1 19.956 −35.196 −79.880 1.00 69.87 MOL2C ATOM 5997 O GLU D 1 19.881 −35.083 −81.098 1.00 75.70 MOL2 O ATOM 5998N GLU D 1 20.944 −34.490 −77.692 1.00 75.00 MOL2 N ATOM 5999 CA GLU D 121.198 −34.723 −79.145 1.00 73.87 MOL2 C ATOM 6000 N VAL D 2 18.974−35.724 −79.162 1.00 63.06 MOL2 N ATOM 6001 CA VAL D 2 17.762 −36.194−79.827 1.00 55.58 MOL2 C ATOM 6002 CB VAL D 2 17.566 −37.689 −79.6281.00 47.21 MOL2 C ATOM 6003 CG1 VAL D 2 16.454 −38.199 −80.509 1.0020.53 MOL2 C ATOM 6004 CG2 VAL D 2 18.854 −38.402 −79.914 1.00 52.31MOL2 C ATOM 6005 C VAL D 2 16.514 −35.503 −79.331 1.00 60.47 MOL2 C ATOM6006 O VAL D 2 15.623 −36.155 −78.805 1.00 66.99 MOL2 O ATOM 6007 N GLND 3 16.439 −34.192 −79.527 1.00 62.47 MOL2 N ATOM 6008 CA GLN D 3 15.305−33.390 −79.078 1.00 60.74 MOL2 C ATOM 6009 CB GLN D 3 15.532 −31.937−79.505 1.00 68.39 MOL2 C ATOM 6010 CG GLN D 3 16.934 −31.419 −79.2141.00 90.44 MOL2 C ATOM 6011 CD GLN D 3 17.198 −30.040 −79.819 1.00104.39 MOL2 C ATOM 6012 OE1 GLN D 3 18.353 −29.614 −79.949 1.00 112.27MOL2 O ATOM 6013 NE2 GLN D 3 16.126 −29.334 −80.186 1.00 106.58 MOL2 NATOM 6014 C GLN D 3 13.911 −33.840 −79.546 1.00 52.32 MOL2 C ATOM 6015 OGLN D 3 13.716 −34.239 −80.690 1.00 46.30 MOL2 O ATOM 6016 N LEU D 412.951 −33.776 −78.630 1.00 47.94 MOL2 N ATOM 6017 CA LEU D 4 11.550−34.087 −78.905 1.00 45.55 MOL2 C ATOM 6018 CB LEU D 4 11.184 −35.486−78.423 1.00 36.42 MOL2 C ATOM 6019 CG LEU D 4 11.126 −36.543 −79.5151.00 40.93 MOL2 C ATOM 6020 CD1 LEU D 4 12.450 −36.560 −80.210 1.0048.51 MOL2 C ATOM 6021 CD2 LEU D 4 10.802 −37.918 −78.947 1.00 37.15MOL2 C ATOM 6022 C LEU D 4 10.784 −33.048 −78.095 1.00 51.22 MOL2 C ATOM6023 O LEU D 4 11.038 −32.902 −76.885 1.00 57.44 MOL2 O ATOM 6024 N VALD 5 9.893 −32.291 −78.742 1.00 48.35 MOL2 N ATOM 6025 CA VAL D 5 9.128−31.282 −78.008 1.00 48.38 MOL2 C ATOM 6026 CB VAL D 5 9.726 −29.864−78.176 1.00 39.25 MOL2 C ATOM 6027 CG1 VAL D 5 11.212 −29.956 −78.4781.00 29.62 MOL2 C ATOM 6028 CG2 VAL D 5 8.995 −29.114 −79.250 1.00 51.89MOL2 C ATOM 6029 C VAL D 5 7.652 −31.267 −78.381 1.00 52.00 MOL2 C ATOM6030 O VAL D 5 7.280 −31.145 −79.555 1.00 54.17 MOL2 O ATOM 6031 N GLU D6 6.812 −31.418 −77.363 1.00 56.64 MOL2 N ATOM 6032 CA GLU D 6 5.379−31.428 −77.570 1.00 62.34 MOL2 C ATOM 6033 CB GLU D 6 4.720 −32.458−76.657 1.00 65.34 MOL2 C ATOM 6034 CG GLU D 6 5.275 −33.857 −76.8321.00 74.88 MOL2 C ATOM 6035 CD GLU D 6 6.236 −34.247 −75.728 1.00 79.38MOL2 C ATOM 6036 OE1 GLU D 6 7.023 −33.380 −75.290 1.00 75.80 MOL2 OATOM 6037 OE2 GLU D 6 6.203 −35.426 −75.307 1.00 82.65 MOL2 O ATOM 6038C GLU D 6 4.803 −30.044 −77.319 1.00 66.15 MOL2 C ATOM 6039 O GLU D 65.439 −29.187 −76.681 1.00 61.42 MOL2 O ATOM 6040 N SER D 7 3.602−29.826 −77.844 1.00 69.22 MOL2 N ATOM 6041 CA SER D 7 2.930 −28.549−77.691 1.00 70.93 MOL2 C ATOM 6042 CB SER D 7 3.601 −27.486 −78.5741.00 74.24 MOL2 C ATOM 6043 OG SER D 7 4.164 −28.060 −79.748 1.00 77.33MOL2 O ATOM 6044 C SER D 7 1.463 −28.680 −78.031 1.00 70.64 MOL2 C ATOM6045 O SER D 7 1.029 −29.683 −78.622 1.00 63.72 MOL2 O ATOM 6046 N GLY D8 0.702 −27.665 −77.634 1.00 73.56 MOL2 N ATOM 6047 CA GLY D 8 −0.722−27.665 −77.901 1.00 81.67 MOL2 C ATOM 6048 C GLY D 8 −1.499 −28.062−76.673 1.00 83.23 MOL2 C ATOM 6049 O GLY D 8 −2.624 −28.547 −76.7691.00 83.26 MOL2 O ATOM 6050 N GLY D 9 −0.890 −27.852 −75.513 1.00 88.14MOL2 N ATOM 6051 CA GLY D 9 −1.547 −28.206 −74.269 1.00 94.12 MOL2 CATOM 6052 C GLY D 9 −2.523 −27.148 −73.805 1.00 94.96 MOL2 C ATOM 6053 OGLY D 9 −2.441 −25.995 −74.236 1.00 96.58 MOL2 O ATOM 6054 N GLY D 10−3.443 −27.544 −72.926 1.00 95.77 MOL2 N ATOM 6055 CA GLY D 10 −4.438−26.621 −72.407 1.00 93.74 MOL2 C ATOM 6056 C GLY D 10 −5.672 −27.331−71.882 1.00 90.23 MOL2 C ATOM 6057 O GLY D 10 −5.716 −28.563 −71.8211.00 87.47 MOL2 O ATOM 6058 N LEU D 11 −6.681 −26.549 −71.513 1.00 87.23MOL2 N ATOM 6059 CA LEU D 11 −7.929 −27.083 −70.975 1.00 85.72 MOL2 CATOM 6060 CB LEU D 11 −8.429 −26.209 −69.828 1.00 86.17 MOL2 C ATOM 6061CG LEU D 11 −7.397 −25.409 −69.026 1.00 92.46 MOL2 C ATOM 6062 CD1 LEU D11 −6.610 −24.445 −69.933 1.00 92.06 MOL2 C ATOM 6063 CD2 LEU D 11−8.134 −24.642 −67.938 1.00 92.18 MOL2 C ATOM 6064 C LEU D 11 −8.973−27.054 −72.057 1.00 81.57 MOL2 C ATOM 6065 O LEU D 11 −8.858 −26.296−73.007 1.00 81.09 MOL2 O ATOM 6066 N VAL D 12 −10.007 −27.860 −71.9111.00 81.34 MOL2 N ATOM 6067 CA VAL D 12 −11.050 −27.851 −72.911 1.0090.17 MOL2 C ATOM 6068 CB VAL D 12 −10.484 −28.360 −74.253 1.00 85.76MOL2 C ATOM 6069 CG1 VAL D 12 −9.519 −29.480 −73.995 1.00 88.33 MOL2 CATOM 6070 CG2 VAL D 12 −11.607 −28.814 −75.170 1.00 93.86 MOL2 C ATOM6071 C VAL D 12 −12.283 −28.644 −72.464 1.00 96.91 MOL2 C ATOM 6072 OVAL D 12 −12.196 −29.827 −72.130 1.00 100.56 MOL2 O ATOM 6073 N GLN D 13−13.428 −27.961 −72.442 1.00 100.84 MOL2 N ATOM 6074 CA GLN D 13 −14.702−28.555 −72.036 1.00 99.10 MOL2 C ATOM 6075 CB GLN D 13 −15.880 −27.642−72.450 1.00 105.56 MOL2 C ATOM 6076 CG GLN D 13 −15.513 −26.216 −72.9311.00 107.21 MOL2 C ATOM 6077 CD GLN D 13 −15.442 −25.179 −71.807 1.00109.35 MOL2 C ATOM 6078 OE1 GLN D 13 −16.437 −24.911 −71.125 1.00 104.19MOL2 O ATOM 6079 NE2 GLN D 13 −14.263 −24.587 −71.619 1.00 106.68 MOL2 NATOM 6080 C GLN D 13 −14.898 −29.935 −72.665 1.00 93.48 MOL2 C ATOM 6081O GLN D 13 −14.483 −30.186 −73.802 1.00 85.32 MOL2 O ATOM 6082 N PRO D14 −15.529 −30.853 −71.922 1.00 92.73 MOL2 N ATOM 6083 CD PRO D 14−15.928 −30.745 −70.506 1.00 91.49 MOL2 C ATOM 6084 CA PRO D 14 −15.766−32.200 −72.448 1.00 93.50 MOL2 C ATOM 6085 CB PRO D 14 −16.742 −32.789−71.442 1.00 93.16 MOL2 C ATOM 6086 CG PRO D 14 −16.228 −32.190 −70.1361.00 96.15 MOL2 C ATOM 6087 C PRO D 14 −16.328 −32.121 −73.861 1.0095.56 MOL2 C ATOM 6088 O PRO D 14 −16.834 −31.077 −74.278 1.00 95.24MOL2 O ATOM 6089 N GLY D 15 −16.226 −33.218 −74.602 1.00 99.20 MOL2 NATOM 6090 CA GLY D 15 −16.714 −33.222 −75.969 1.00 100.83 MOL2 C ATOM6091 C GLY D 15 −15.810 −32.426 −76.900 1.00 101.96 MOL2 C ATOM 6092 OGLY D 15 −15.628 −32.814 −78.058 1.00 105.17 MOL2 O ATOM 6093 N GLY D 16−15.244 −31.322 −76.399 1.00 97.91 MOL2 N ATOM 6094 CA GLY D 16 −14.362−30.485 −77.200 1.00 92.60 MOL2 C ATOM 6095 C GLY D 16 −13.253 −31.244−77.912 1.00 93.12 MOL2 C ATOM 6096 O GLY D 16 −13.158 −32.474 −77.8091.00 94.06 MOL2 O ATOM 6097 N SER D 17 −12.405 −30.519 −78.640 1.0090.56 MOL2 N ATOM 6098 CA SER D 17 −11.305 −31.152 −79.368 1.00 88.06MOL2 C ATOM 6099 CB SER D 17 −11.666 −31.329 −80.849 1.00 84.28 MOL2 CATOM 6100 OG SER D 17 −11.944 −32.684 −81.155 1.00 71.92 MOL2 O ATOM6101 C SER D 17 −9.988 −30.395 −79.279 1.00 86.85 MOL2 C ATOM 6102 O SERD 17 −9.972 −29.168 −79.144 1.00 82.24 MOL2 O ATOM 6103 N LEU D 18−8.889 −31.149 −79.358 1.00 87.92 MOL2 N ATOM 6104 CA LEU D 18 −7.537−30.591 −79.318 1.00 83.54 MOL2 C ATOM 6105 CB LEU D 18 −6.970 −30.620−77.901 1.00 78.94 MOL2 C ATOM 6106 CG LEU D 18 −6.472 −29.234 −77.5061.00 78.53 MOL2 C ATOM 6107 CD1 LEU D 18 −5.626 −29.308 −76.241 1.0074.08 MOL2 C ATOM 6108 CD2 LEU D 18 −5.683 −28.658 −78.673 1.00 78.57MOL2 C ATOM 6109 C LEU D 18 −6.594 −31.357 −80.237 1.00 81.40 MOL2 CATOM 6110 O LEU D 18 −6.772 −32.557 −80.473 1.00 80.75 MOL2 O ATOM 6111N ARG D 19 −5.597 −30.648 −80.757 1.00 79.15 MOL2 N ATOM 6112 CA ARG D19 −4.599 −31.241 −81.644 1.00 78.03 MOL2 C ATOM 6113 CB ARG D 19 −4.678−30.634 −83.039 1.00 78.17 MOL2 C ATOM 6114 CG ARG D 19 −3.535 −31.018−83.949 1.00 65.90 MOL2 C ATOM 6115 CD ARG D 19 −3.131 −29.824 −84.7861.00 69.08 MOL2 C ATOM 6116 NE ARG D 19 −2.427 −30.199 −86.005 1.0074.67 MOL2 N ATOM 6117 CZ ARG D 19 −2.777 −31.215 −86.793 1.00 75.43MOL2 C ATOM 6118 NH1 ARG D 19 −3.823 −31.978 −86.487 1.00 65.68 MOL2 NATOM 6119 NH2 ARG D 19 −2.093 −31.453 −87.909 1.00 79.00 MOL2 N ATOM6120 C ARG D 19 −3.215 −30.986 −81.073 1.00 78.02 MOL2 C ATOM 6121 O ARGD 19 −2.788 −29.831 −80.907 1.00 72.90 MOL2 O ATOM 6122 N LEU D 20−2.526 −32.085 −80.777 1.00 77.70 MOL2 N ATOM 6123 CA LEU D 20 −1.187−32.051 −80.211 1.00 75.48 MOL2 C ATOM 6124 CB LEU D 20 −1.058 −33.127−79.137 1.00 77.70 MOL2 C ATOM 6125 CG LEU D 20 −1.804 −32.904 −77.8281.00 78.75 MOL2 C ATOM 6126 CD1 LEU D 20 −1.722 −34.166 −76.990 1.0076.76 MOL2 C ATOM 6127 CD2 LEU D 20 −1.205 −31.702 −77.100 1.00 77.37MOL2 C ATOM 6128 C LEU D 20 −0.113 −32.289 −81.265 1.00 75.06 MOL2 CATOM 6129 O LEU D 20 −0.276 −33.122 −82.174 1.00 66.09 MOL2 O ATOM 6130N SER D 21 0.992 −31.564 −81.127 1.00 73.95 MOL2 N ATOM 6131 CA SER D 212.104 −31.715 −82.049 1.00 72.69 MOL2 C ATOM 6132 CB SER D 21 2.227−30.478 −82.927 1.00 70.61 MOL2 C ATOM 6133 OG SER D 21 2.423 −29.334−82.123 1.00 79.90 MOL2 O ATOM 6134 C SER D 21 3.412 −31.955 −81.2881.00 71.91 MOL2 C ATOM 6135 O SER D 21 3.579 −31.529 −80.139 1.00 71.22MOL2 O ATOM 6136 N CYS D 22 4.326 −32.659 −81.945 1.00 70.37 MOL2 N ATOM6137 CA CYS D 22 5.631 −32.983 −81.386 1.00 65.79 MOL2 C ATOM 6138 C CYSD 22 6.688 −32.757 −82.450 1.00 57.43 MOL2 C ATOM 6139 O CYS D 22 6.630−33.341 −83.527 1.00 54.04 MOL2 O ATOM 6140 CB CYS D 22 5.663 −34.443−80.951 1.00 73.70 MOL2 C ATOM 6141 SG CYS D 22 7.282 −35.006 −80.3331.00 84.99 MOL2 S ATOM 6142 N ALA D 23 7.648 −31.899 −82.155 1.00 52.00MOL2 N ATOM 6143 CA ALA D 23 8.698 −31.629 −83.117 1.00 54.76 MOL2 CATOM 6144 CB ALA D 23 9.031 −30.160 −83.132 1.00 64.70 MOL2 C ATOM 6145C ALA D 23 9.923 −32.435 −82.747 1.00 58.66 MOL2 C ATOM 6146 O ALA D 2310.476 −32.278 −81.658 1.00 64.59 MOL2 O ATOM 6147 N ALA D 24 10.353−33.296 −83.660 1.00 56.45 MOL2 N ATOM 6148 CA ALA D 24 11.507 −34.144−83.422 1.00 50.35 MOL2 C ATOM 6149 CB ALA D 24 11.214 −35.531 −83.9171.00 53.80 MOL2 C ATOM 6150 C ALA D 24 12.754 −33.625 −84.097 1.00 47.82MOL2 C ATOM 6151 O ALA D 24 12.690 −32.843 −85.034 1.00 56.17 MOL2 OATOM 6152 N SER D 25 13.902 −34.072 −83.626 1.00 45.00 MOL2 N ATOM 6153CA SER D 25 15.161 −33.661 −84.227 1.00 44.92 MOL2 C ATOM 6154 CB SER D25 15.457 −32.185 −83.964 1.00 35.52 MOL2 C ATOM 6155 OG SER D 25 16.204−32.031 −82.768 1.00 42.35 MOL2 O ATOM 6156 C SER D 25 16.267 −34.505−83.636 1.00 47.14 MOL2 C ATOM 6157 O SER D 25 16.072 −35.179 −82.6271.00 56.46 MOL2 O ATOM 6158 N GLY D 26 17.433 −34.464 −84.259 1.00 43.68MOL2 N ATOM 6159 CA GLY D 26 18.537 −35.247 −83.757 1.00 46.50 MOL2 CATOM 6160 C GLY D 26 18.520 −36.681 −84.252 1.00 43.78 MOL2 C ATOM 6161O GLY D 26 19.283 −37.508 −83.763 1.00 45.34 MOL2 O ATOM 6162 N PHE D 2717.650 −36.992 −85.205 1.00 38.63 MOL2 N ATOM 6163 CA PHE D 27 17.612−38.343 −85.746 1.00 39.22 MOL2 C ATOM 6164 CB PHE D 27 17.191 −39.314−84.669 1.00 24.50 MOL2 C ATOM 6165 CG PHE D 27 15.738 −39.268 −84.3341.00 28.38 MOL2 C ATOM 6166 CD1 PHE D 27 14.876 −40.235 −84.822 1.0027.26 MOL2 C ATOM 6167 CD2 PHE D 27 15.239 −38.304 −83.474 1.00 36.41MOL2 C ATOM 6168 CE1 PHE D 27 13.552 −40.243 −84.451 1.00 30.72 MOL2 CATOM 6169 CE2 PHE D 27 13.900 −38.304 −83.094 1.00 31.86 MOL2 C ATOM6170 CZ PHE D 27 13.060 −39.271 −83.579 1.00 32.53 MOL2 C ATOM 6171 CPHE D 27 16.738 −38.508 −86.983 1.00 46.31 MOL2 C ATOM 6172 O PHE D 2715.866 −37.676 −87.273 1.00 52.97 MOL2 O ATOM 6173 N THR D 28 16.964−39.574 −87.740 1.00 46.42 MOL2 N ATOM 6174 CA THR D 28 16.165 −39.706−88.940 1.00 53.33 MOL2 C ATOM 6175 CB THR D 28 16.824 −40.642 −89.9981.00 52.12 MOL2 C ATOM 6176 OG1 THR D 28 16.286 −41.959 −89.886 1.0062.36 MOL2 O ATOM 6177 CG2 THR D 28 18.345 −40.660 −89.824 1.00 46.59MOL2 C ATOM 6178 C THR D 28 14.748 −40.133 −88.596 1.00 51.79 MOL2 CATOM 6179 O THR D 28 14.407 −41.313 −88.553 1.00 48.04 MOL2 O ATOM 6180N PHE D 29 13.929 −39.117 −88.348 1.00 53.46 MOL2 N ATOM 6181 CA PHE D29 12.531 −39.278 −87.979 1.00 54.72 MOL2 C ATOM 6182 CB PHE D 29 11.881−37.895 −87.926 1.00 62.47 MOL2 C ATOM 6183 CG PHE D 29 10.451 −37.898−87.455 1.00 66.59 MOL2 C ATOM 6184 CD1 PHE D 29 9.420 −38.253 −88.3101.00 68.36 MOL2 C ATOM 6185 CD2 PHE D 29 10.143 −37.514 −86.164 1.0066.24 MOL2 C ATOM 6186 CE1 PHE D 29 8.118 −38.219 −87.890 1.00 68.35MOL2 C ATOM 6187 CE2 PHE D 29 8.849 −37.480 −85.738 1.00 68.10 MOL2 CATOM 6188 CZ PHE D 29 7.830 −37.832 −86.603 1.00 73.32 MOL2 C ATOM 6189C PHE D 29 11.759 −40.183 −88.928 1.00 54.82 MOL2 C ATOM 6190 O PHE D 2911.075 −41.110 −88.506 1.00 48.52 MOL2 O ATOM 6191 N SER D 30 11.876−39.900 −90.218 1.00 60.43 MOL2 N ATOM 6192 CA SER D 30 11.183 −40.659−91.253 1.00 60.64 MOL2 C ATOM 6193 CB SER D 30 11.528 −40.087 −92.6251.00 60.73 MOL2 C ATOM 6194 OG SER D 30 12.897 −40.295 −92.920 1.0059.38 MOL2 O ATOM 6195 C SER D 30 11.539 −42.135 −91.243 1.00 60.18 MOL2C ATOM 6196 O SER D 30 11.050 −42.898 −92.070 1.00 56.89 MOL2 O ATOM6197 N ASP D 31 12.391 −42.539 −90.311 1.00 60.72 MOL2 N ATOM 6198 CAASP D 31 12.809 −43.926 −90.263 1.00 59.43 MOL2 C ATOM 6199 CB ASP D 3114.328 −44.025 −90.173 1.00 61.21 MOL2 C ATOM 6200 CG ASP D 31 14.944−44.592 −91.432 1.00 68.54 MOL2 C ATOM 6201 OD1 ASP D 31 14.563 −45.722−91.815 1.00 78.88 MOL2 O ATOM 6202 OD2 ASP D 31 15.801 −43.916 −92.0401.00 68.22 MOL2 O ATOM 6203 C ASP D 31 12.209 −44.732 −89.151 1.00 57.94MOL2 C ATOM 6204 O ASP D 31 12.081 −45.941 −89.272 1.00 59.54 MOL2 OATOM 6205 N TYR D 32 11.822 −44.070 −88.074 1.00 57.77 MOL2 N ATOM 6206CA TYR D 32 11.280 −44.769 −86.925 1.00 57.85 MOL2 C ATOM 6207 CB TYR D32 12.081 −44.358 −85.689 1.00 55.56 MOL2 C ATOM 6208 CG TYR D 32 13.524−44.813 −85.736 1.00 57.47 MOL2 C ATOM 6209 CD1 TYR D 32 14.485 −44.106−86.443 1.00 58.58 MOL2 C ATOM 6210 CE1 TYR D 32 15.775 −44.593 −86.5601.00 62.62 MOL2 C ATOM 6211 CD2 TYR D 32 13.901 −46.006 −85.139 1.0055.62 MOL2 C ATOM 6212 CE2 TYR D 32 15.166 −46.490 −85.246 1.00 51.87MOL2 C ATOM 6213 CZ TYR D 32 16.103 −45.799 −85.961 1.00 63.39 MOL2 CATOM 6214 OH TYR D 32 17.347 −46.371 −86.130 1.00 70.01 MOL2 O ATOM 6215C TYR D 32 9.796 −44.556 −86.663 1.00 60.28 MOL2 C ATOM 6216 O TYR D 329.220 −43.567 −87.096 1.00 66.37 MOL2 O ATOM 6217 N ASN D 33 9.176−45.493 −85.953 1.00 60.37 MOL2 N ATOM 6218 CA ASN D 33 7.769 −45.367−85.596 1.00 56.47 MOL2 C ATOM 6219 CB ASN D 33 7.224 −46.708 −85.1121.00 56.79 MOL2 C ATOM 6220 CG ASN D 33 7.470 −47.815 −86.109 1.00 66.86MOL2 C ATOM 6221 OD1 ASN D 33 8.551 −47.901 −86.684 1.00 78.81 MOL2 OATOM 6222 ND2 ASN D 33 6.476 −48.671 −86.321 1.00 68.08 MOL2 N ATOM 6223C ASN D 33 7.728 −44.362 −84.459 1.00 53.80 MOL2 C ATOM 6224 O ASN D 338.735 −44.112 −83.810 1.00 58.25 MOL2 O ATOM 6225 N MET D 34 6.574−43.772 −84.212 1.00 50.73 MOL2 N ATOM 6226 CA MET D 34 6.474 −42.811−83.127 1.00 50.71 MOL2 C ATOM 6227 CB MET D 34 6.370 −41.407 −83.6861.00 53.02 MOL2 C ATOM 6228 CG MET D 34 7.641 −40.933 −84.344 1.00 52.86MOL2 C ATOM 6229 SD MET D 34 8.901 −40.768 −83.107 1.00 49.81 MOL2 SATOM 6230 CE MET D 34 8.706 −39.069 −82.552 1.00 51.28 MOL2 C ATOM 6231C MET D 34 5.248 −43.134 −82.321 1.00 47.40 MOL2 C ATOM 6232 O MET D 344.383 −43.860 −82.792 1.00 49.62 MOL2 O ATOM 6233 N ALA D 35 5.168−42.618 −81.104 1.00 42.59 MOL2 N ATOM 6234 CA ALA D 35 3.997 −42.901−80.289 1.00 44.94 MOL2 C ATOM 6235 CB ALA D 35 4.106 −44.285 −79.6571.00 32.32 MOL2 C ATOM 6236 C ALA D 35 3.711 −41.866 −79.214 1.00 46.03MOL2 C ATOM 6237 O ALA D 35 4.533 −40.981 −78.906 1.00 40.89 MOL2 O ATOM6238 N TRP D 36 2.506 −41.967 −78.669 1.00 44.59 MOL2 N ATOM 6239 CA TRPD 36 2.094 −41.069 −77.618 1.00 44.38 MOL2 C ATOM 6240 CB TRP D 36 0.825−40.306 −78.000 1.00 38.84 MOL2 C ATOM 6241 CG TRP D 36 1.033 −39.334−79.074 1.00 28.40 MOL2 C ATOM 6242 CD2 TRP D 36 1.448 −37.980 −78.9191.00 26.98 MOL2 C ATOM 6243 CE2 TRP D 36 1.624 −37.449 −80.209 1.0029.52 MOL2 C ATOM 6244 CE3 TRP D 36 1.697 −37.163 −77.811 1.00 33.21MOL2 C ATOM 6245 CD1 TRP D 36 0.965 −39.571 −80.414 1.00 31.07 MOL2 CATOM 6246 NE1 TRP D 36 1.323 −38.444 −81.106 1.00 29.81 MOL2 N ATOM 6247CZ2 TRP D 36 2.042 −36.129 −80.426 1.00 24.35 MOL2 C ATOM 6248 CZ3 TRP D36 2.114 −35.854 −78.024 1.00 30.24 MOL2 C ATOM 6249 CH2 TRP D 36 2.281−35.353 −79.327 1.00 27.49 MOL2 C ATOM 6250 C TRP D 36 1.832 −41.944−76.421 1.00 44.63 MOL2 C ATOM 6251 O TRP D 36 1.315 −43.052 −76.5511.00 45.46 MOL2 O ATOM 6252 N VAL D 37 2.211 −41.438 −75.262 1.00 41.30MOL2 N ATOM 6253 CA VAL D 37 2.038 −42.148 −74.025 1.00 49.84 MOL2 CATOM 6254 CB VAL D 37 3.395 −42.719 −73.560 1.00 56.87 MOL2 C ATOM 6255CG1 VAL D 37 3.386 −42.972 −72.067 1.00 63.23 MOL2 C ATOM 6256 CG2 VAL D37 3.690 −44.006 −74.304 1.00 60.97 MOL2 C ATOM 6257 C VAL D 37 1.560−41.086 −73.064 1.00 55.18 MOL2 C ATOM 6258 O VAL D 37 2.156 −40.003−72.996 1.00 54.18 MOL2 O ATOM 6259 N ARG D 38 0.473 −41.358 −72.3431.00 58.77 MOL2 N ATOM 6260 CA ARG D 38 −0.004 −40.359 −71.391 1.0060.58 MOL2 C ATOM 6261 CB ARG D 38 −1.442 −39.886 −71.682 1.00 69.17MOL2 C ATOM 6262 CG ARG D 38 −2.578 −40.905 −71.597 1.00 75.27 MOL2 CATOM 6263 CD ARG D 38 −3.921 −40.148 −71.651 1.00 85.53 MOL2 C ATOM 6264NE ARG D 38 −5.021 −40.914 −72.235 1.00 88.71 MOL2 N ATOM 6265 CZ ARG D38 −5.593 −41.964 −71.655 1.00 95.44 MOL2 C ATOM 6266 NH1 ARG D 38−5.178 −42.378 −70.465 1.00 96.28 MOL2 N ATOM 6267 NH2 ARG D 38 −6.567−42.615 −72.275 1.00 98.30 MOL2 N ATOM 6268 C ARG D 38 0.103 −40.826−69.967 1.00 56.56 MOL2 C ATOM 6269 O ARG D 38 0.255 −42.023 −69.6981.00 51.91 MOL2 O ATOM 6270 N GLN D 39 0.028 −39.860 −69.056 1.00 53.51MOL2 N ATOM 6271 CA GLN D 39 0.139 −40.141 −67.634 1.00 55.30 MOL2 CATOM 6272 CB GLN D 39 1.582 −39.968 −67.220 1.00 55.50 MOL2 C ATOM 6273CG GLN D 39 1.860 −40.157 −65.765 1.00 53.77 MOL2 C ATOM 6274 CD GLN D39 3.308 −39.849 −65.454 1.00 63.42 MOL2 C ATOM 6275 OE1 GLN D 39 3.801−38.728 −65.701 1.00 55.69 MOL2 O ATOM 6276 NE2 GLN D 39 4.010 −40.844−64.922 1.00 67.76 MOL2 N ATOM 6277 C GLN D 39 −0.744 −39.226 −66.7961.00 60.85 MOL2 C ATOM 6278 O GLN D 39 −0.403 −38.061 −66.559 1.00 58.46MOL2 O ATOM 6279 N ALA D 40 −1.870 −39.771 −66.338 1.00 64.05 MOL2 NATOM 6280 CA ALA D 40 −2.830 −39.028 −65.537 1.00 65.19 MOL2 C ATOM 6281CB ALA D 40 −4.008 −39.906 −65.248 1.00 71.21 MOL2 C ATOM 6282 C ALA D40 −2.197 −38.578 −64.242 1.00 68.48 MOL2 C ATOM 6283 O ALA D 40 −1.424−39.311 −63.649 1.00 74.09 MOL2 O ATOM 6284 N PRO D 41 −2.531 −37.373−63.768 1.00 73.48 MOL2 N ATOM 6285 CD PRO D 41 −3.523 −36.419 −64.2751.00 78.11 MOL2 C ATOM 6286 CA PRO D 41 −1.946 −36.885 −62.517 1.0079.78 MOL2 C ATOM 6287 CB PRO D 41 −2.818 −35.687 −62.171 1.00 76.98MOL2 C ATOM 6288 CG PRO D 41 −3.152 −35.159 −63.505 1.00 81.73 MOL2 CATOM 6289 C PRO D 41 −1.926 −37.940 −61.411 1.00 83.13 MOL2 C ATOM 6290O PRO D 41 −2.927 −38.617 −61.135 1.00 85.49 MOL2 O ATOM 6291 N GLY D 42−0.762 −38.082 −60.793 1.00 80.93 MOL2 N ATOM 6292 CA GLY D 42 −0.614−39.051 −59.738 1.00 79.13 MOL2 C ATOM 6293 C GLY D 42 −0.533 −40.467−60.263 1.00 80.48 MOL2 C ATOM 6294 O GLY D 42 0.230 −41.265 −59.7331.00 89.17 MOL2 O ATOM 6295 N LYS D 43 −1.297 −40.791 −61.302 1.00 76.33MOL2 N ATOM 6296 CA LYS D 43 −1.289 −42.147 −61.845 1.00 76.92 MOL2 CATOM 6297 CB LYS D 43 −2.559 −42.375 −62.669 1.00 87.60 MOL2 C ATOM 6298CG LYS D 43 −3.852 −42.332 −61.841 1.00 100.68 MOL2 C ATOM 6299 CD LYS D43 −3.882 −43.434 −60.770 1.00 111.98 MOL2 C ATOM 6300 CE LYS D 43−5.192 −43.448 −59.964 1.00 116.94 MOL2 C ATOM 6301 NZ LYS D 43 −6.398−43.856 −60.758 1.00 120.34 MOL2 N ATOM 6302 C LYS D 43 −0.046 −42.572−62.650 1.00 71.83 MOL2 C ATOM 6303 O LYS D 43 0.917 −41.806 −62.8051.00 65.21 MOL2 O ATOM 6304 N GLY D 44 −0.083 −43.809 −63.147 1.00 67.68MOL2 N ATOM 6305 CA GLY D 44 1.027 −44.366 −63.905 1.00 68.58 MOL2 CATOM 6306 C GLY D 44 1.138 −43.967 −65.367 1.00 69.48 MOL2 C ATOM 6307 OGLY D 44 0.738 −42.867 −65.756 1.00 74.59 MOL2 O ATOM 6308 N LEU D 451.688 −44.858 −66.187 1.00 64.01 MOL2 N ATOM 6309 CA LEU D 45 1.852−44.557 −67.603 1.00 60.60 MOL2 C ATOM 6310 CB LEU D 45 3.320 −44.748−68.025 1.00 54.13 MOL2 C ATOM 6311 CG LEU D 45 4.370 −43.830 −67.3661.00 53.54 MOL2 C ATOM 6312 CD1 LEU D 45 5.787 −44.216 −67.791 1.0044.54 MOL2 C ATOM 6313 CD2 LEU D 45 4.097 −42.397 −67.738 1.00 41.93MOL2 C ATOM 6314 C LEU D 45 0.938 −45.426 −68.453 1.00 64.12 MOL2 C ATOM6315 O LEU D 45 0.864 −46.641 −68.263 1.00 69.15 MOL2 O ATOM 6316 N GLUD 46 0.235 −44.786 −69.382 1.00 64.42 MOL2 N ATOM 6317 CA GLU D 46−0.688 −45.471 −70.275 1.00 64.76 MOL2 C ATOM 6318 CB GLU D 46 −2.119−44.975 −70.049 1.00 71.52 MOL2 C ATOM 6319 CG GLU D 46 −2.683 −45.278−68.676 1.00 89.62 MOL2 C ATOM 6320 CD GLU D 46 −3.848 −44.373 −68.3101.00 100.48 MOL2 C ATOM 6321 OE1 GLU D 46 −4.866 −44.380 −69.042 1.00101.04 MOL2 O ATOM 6322 OE2 GLU D 46 −3.739 −43.654 −67.284 1.00 108.36MOL2 O ATOM 6323 C GLU D 46 −0.286 −45.152 −71.694 1.00 62.81 MOL2 CATOM 6324 O GLU D 46 −0.028 −43.995 −72.031 1.00 55.53 MOL2 O ATOM 6325N TRP D 47 −0.226 −46.173 −72.535 1.00 65.54 MOL2 N ATOM 6326 CA TRP D47 0.124 −45.927 −73.917 1.00 65.61 MOL2 C ATOM 6327 CB TRP D 47 0.730−47.159 −74.551 1.00 62.17 MOL2 C ATOM 6328 CG TRP D 47 0.787 −47.004−76.002 1.00 65.07 MOL2 C ATOM 6329 CD2 TRP D 47 0.012 −47.719 −76.9611.00 70.61 MOL2 C ATOM 6330 CE2 TRP D 47 0.336 −47.205 −78.225 1.0072.82 MOL2 C ATOM 6331 CE3 TRP D 47 −0.929 −48.747 −76.873 1.00 74.31MOL2 C ATOM 6332 CD1 TRP D 47 1.533 −46.109 −76.698 1.00 67.74 MOL2 CATOM 6333 NE1 TRP D 47 1.270 −46.220 −78.040 1.00 73.44 MOL2 N ATOM 6334CZ2 TRP D 47 −0.247 −47.683 −79.390 1.00 79.25 MOL2 C ATOM 6335 CZ3 TRPD 47 −1.504 −49.220 −78.031 1.00 75.33 MOL2 C ATOM 6336 CH2 TRP D 47−1.163 −48.689 −79.272 1.00 78.23 MOL2 C ATOM 6337 C TRP D 47 −1.112−45.509 −74.709 1.00 67.66 MOL2 C ATOM 6338 O TRP D 47 −2.158 −46.149−74.642 1.00 72.85 MOL2 O ATOM 6339 N VAL D 48 −0.988 −44.424 −75.4571.00 65.33 MOL2 N ATOM 6340 CA VAL D 48 −2.090 −43.923 −76.259 1.0058.35 MOL2 C ATOM 6341 CB VAL D 48 −1.967 −42.418 −76.437 1.00 54.66MOL2 C ATOM 6342 CG1 VAL D 48 −2.995 −41.931 −77.412 1.00 49.86 MOL2 CATOM 6343 CG2 VAL D 48 −2.119 −41.729 −75.091 1.00 57.15 MOL2 C ATOM6344 C VAL D 48 −2.122 −44.572 −77.637 1.00 61.39 MOL2 C ATOM 6345 O VALD 48 −2.918 −45.473 −77.888 1.00 64.06 MOL2 O ATOM 6346 N ALA D 49−1.254 −44.118 −78.531 1.00 63.57 MOL2 N ATOM 6347 CA ALA D 49 −1.217−44.668 −79.878 1.00 67.27 MOL2 C ATOM 6348 CB ALA D 49 −2.186 −43.930−80.753 1.00 67.63 MOL2 C ATOM 6349 C ALA D 49 0.168 −44.580 −80.4851.00 71.79 MOL2 C ATOM 6350 O ALA D 49 1.030 −43.847 −79.995 1.00 73.85MOL2 O ATOM 6351 N THR D 50 0.369 −45.339 −81.558 1.00 72.05 MOL2 N ATOM6352 CA THR D 50 1.636 −45.349 −82.277 1.00 70.38 MOL2 C ATOM 6353 CBTHR D 50 2.541 −46.560 −81.866 1.00 70.10 MOL2 C ATOM 6354 OG1 THR D 503.552 −46.738 −82.861 1.00 83.42 MOL2 O ATOM 6355 CG2 THR D 50 1.760−47.853 −81.757 1.00 64.64 MOL2 C ATOM 6356 C THR D 50 1.370 −45.390−83.786 1.00 66.34 MOL2 C ATOM 6357 O THR D 50 0.409 −46.007 −84.2281.00 72.25 MOL2 O ATOM 6358 N ILE D 51 2.211 −44.715 −84.561 1.00 60.82MOL2 N ATOM 6359 CA ILE D 51 2.089 −44.659 −86.018 1.00 59.66 MOL2 CATOM 6360 CB ILE D 51 1.791 −43.226 −86.488 1.00 59.51 MOL2 C ATOM 6361CG2 ILE D 51 2.830 −42.257 −85.943 1.00 45.70 MOL2 C ATOM 6362 CG1 ILE D51 1.813 −43.161 −88.009 1.00 57.26 MOL2 C ATOM 6363 CD1 ILE D 51 1.666−41.750 −88.529 1.00 60.49 MOL2 C ATOM 6364 C ILE D 51 3.424 −45.079−86.605 1.00 63.20 MOL2 C ATOM 6365 O ILE D 51 4.465 −44.721 −86.0551.00 72.07 MOL2 O ATOM 6366 N THR D 52 3.429 −45.809 −87.717 1.00 58.77MOL2 N ATOM 6367 CA THR D 52 4.711 −46.242 −88.267 1.00 64.58 MOL2 CATOM 6368 CB THR D 52 4.577 −47.476 −89.140 1.00 67.42 MOL2 C ATOM 6369OG1 THR D 52 4.114 −47.086 −90.435 1.00 79.19 MOL2 O ATOM 6370 CG2 THR D52 3.609 −48.463 −88.516 1.00 68.84 MOL2 C ATOM 6371 C THR D 52 5.469−45.195 −89.067 1.00 67.67 MOL2 C ATOM 6372 O THR D 52 4.945 −44.136−89.384 1.00 73.88 MOL2 O ATOM 6373 N TYR D 53 6.715 −45.508 −89.3961.00 73.17 MOL2 N ATOM 6374 CA TYR D 53 7.584 −44.595 −90.133 1.00 81.30MOL2 C ATOM 6375 CB TYR D 53 8.954 −45.247 −90.337 1.00 81.09 MOL2 CATOM 6376 CG TYR D 53 8.931 −46.494 −91.195 1.00 75.76 MOL2 C ATOM 6377CD1 TYR D 53 9.213 −46.436 −92.557 1.00 69.59 MOL2 C ATOM 6378 CE1 TYR D53 9.211 −47.572 −93.332 1.00 68.27 MOL2 C ATOM 6379 CD2 TYR D 53 8.639−47.732 −90.639 1.00 75.59 MOL2 C ATOM 6380 CE2 TYR D 53 8.632 −48.874−91.408 1.00 74.16 MOL2 C ATOM 6381 CZ TYR D 53 8.921 −48.790 −92.7511.00 73.12 MOL2 C ATOM 6382 OH TYR D 53 8.936 −49.940 −93.502 1.00 77.65MOL2 O ATOM 6383 C TYR D 53 7.041 −44.130 −91.478 1.00 86.35 MOL2 C ATOM6384 O TYR D 53 7.011 −42.931 −91.763 1.00 85.84 MOL2 O ATOM 6385 N GLUD 54 6.636 −45.090 −92.305 1.00 92.68 MOL2 N ATOM 6386 CA GLU D 54 6.086−44.825 −93.633 1.00 95.67 MOL2 C ATOM 6387 CB GLU D 54 5.591 −46.135−94.237 1.00 98.17 MOL2 C ATOM 6388 CG GLU D 54 4.537 −46.831 −93.3821.00 103.97 MOL2 C ATOM 6389 CD GLU D 54 4.883 −48.285 −93.112 1.00112.26 MOL2 C ATOM 6390 OE1 GLU D 54 4.140 −48.960 −92.361 1.00 114.82MOL2 O ATOM 6391 OE2 GLU D 54 5.904 −48.756 −93.658 1.00 115.58 MOL2 OATOM 6392 C GLU D 54 4.917 −43.858 −93.508 1.00 95.71 MOL2 C ATOM 6393 OGLU D 54 4.665 −43.033 −94.389 1.00 92.35 MOL2 O ATOM 6394 N GLY D 554.199 −43.987 −92.399 1.00 96.32 MOL2 N ATOM 6395 CA GLY D 55 3.066−43.129 −92.141 1.00 95.86 MOL2 C ATOM 6396 C GLY D 55 1.754 −43.803−92.463 1.00 99.83 MOL2 C ATOM 6397 O GLY D 55 0.706 −43.162 −92.3971.00 100.50 MOL2 O ATOM 6398 N ARG D 56 1.789 −45.086 −92.810 1.00101.58 MOL2 N ATOM 6399 CA ARG D 56 0.547 −45.768 −93.141 1.00 107.62MOL2 C ATOM 6400 CB ARG D 56 0.512 −46.141 −94.626 1.00 120.65 MOL2 CATOM 6401 CG ARG D 56 −0.912 −46.353 −95.176 1.00 134.36 MOL2 C ATOM6402 CD ARG D 56 −1.736 −45.047 −95.179 1.00 140.80 MOL2 C ATOM 6403 NEARG D 56 −3.118 −45.228 −95.637 1.00 145.28 MOL2 N ATOM 6404 CZ ARG D 56−4.144 −45.563 −94.854 1.00 146.77 MOL2 C ATOM 6405 NH1 ARG D 56 −3.964−45.757 −93.549 1.00 145.89 MOL2 N ATOM 6406 NH2 ARG D 56 −5.357 −45.707−95.380 1.00 144.12 MOL2 N ATOM 6407 C ARG D 56 0.300 −47.002 −92.3031.00 103.95 MOL2 C ATOM 6408 O ARG D 56 0.527 −48.126 −92.748 1.00104.42 MOL2 O ATOM 6409 N ASN D 57 −0.179 −46.763 −91.088 1.00 101.45MOL2 N ATOM 6410 CA ASN D 57 −0.503 −47.800 −90.117 1.00 98.58 MOL2 CATOM 6411 CB ASN D 57 0.499 −48.949 −90.176 1.00 100.68 MOL2 C ATOM 6412CG ASN D 57 −0.112 −50.208 −90.740 1.00 103.67 MOL2 C ATOM 6413 OD1 ASND 57 −1.112 −50.707 −90.217 1.00 103.03 MOL2 O ATOM 6414 ND2 ASN D 570.477 −50.729 −91.816 1.00 102.70 MOL2 N ATOM 6415 C ASN D 57 −0.518−47.216 −88.718 1.00 94.68 MOL2 C ATOM 6416 O ASN D 57 0.530 −46.956−88.128 1.00 94.60 MOL2 O ATOM 6417 N THR D 58 −1.718 −46.993 −88.1991.00 90.14 MOL2 N ATOM 6418 CA THR D 58 −1.873 −46.442 −86.861 1.0090.16 MOL2 C ATOM 6419 CB THR D 58 −2.844 −45.271 −86.835 1.00 89.77MOL2 C ATOM 6420 OG1 THR D 58 −4.171 −45.757 −87.075 1.00 86.89 MOL2 OATOM 6421 CG2 THR D 58 −2.465 −44.246 −87.890 1.00 89.64 MOL2 C ATOM6422 C THR D 58 −2.457 −47.535 −85.992 1.00 91.44 MOL2 C ATOM 6423 O THRD 58 −3.041 −48.484 −86.517 1.00 92.68 MOL2 O ATOM 6424 N TYR D 59−2.319 −47.419 −84.671 1.00 91.79 MOL2 N ATOM 6425 CA TYR D 59 −2.869−48.461 −83.822 1.00 92.64 MOL2 C ATOM 6426 CB TYR D 59 −1.749 −49.320−83.269 1.00 91.25 MOL2 C ATOM 6427 CG TYR D 59 −1.160 −50.188 −84.3591.00 94.38 MOL2 C ATOM 6428 CD1 TYR D 59 −0.217 −49.680 −85.243 1.0095.77 MOL2 C ATOM 6429 CE1 TYR D 59 0.300 −50.450 −86.269 1.00 96.30MOL2 C ATOM 6430 CD2 TYR D 59 −1.576 −51.501 −84.532 1.00 93.99 MOL2 CATOM 6431 CE2 TYR D 59 −1.065 −52.281 −85.557 1.00 99.36 MOL2 C ATOM6432 CZ TYR D 59 −0.123 −51.749 −86.424 1.00 99.00 MOL2 C ATOM 6433 OHTYR D 59 0.409 −52.514 −87.443 1.00 99.74 MOL2 O ATOM 6434 C TYR D 59−3.867 −48.102 −82.735 1.00 93.37 MOL2 C ATOM 6435 O TYR D 59 −4.913−48.750 −82.641 1.00 96.61 MOL2 O ATOM 6436 N TYR D 60 −3.576 −47.099−81.915 1.00 90.48 MOL2 N ATOM 6437 CA TYR D 60 −4.528 −46.683 −80.8661.00 89.79 MOL2 C ATOM 6438 CB TYR D 60 −5.837 −46.165 −81.493 1.0077.88 MOL2 C ATOM 6439 CG TYR D 60 −5.663 −45.067 −82.515 1.00 68.52MOL2 C ATOM 6440 CD1 TYR D 60 −5.633 −45.354 −83.868 1.00 64.19 MOL2 CATOM 6441 CE1 TYR D 60 −5.407 −44.366 −84.798 1.00 63.93 MOL2 C ATOM6442 CD2 TYR D 60 −5.469 −43.749 −82.120 1.00 66.79 MOL2 C ATOM 6443 CE2TYR D 60 −5.239 −42.752 −83.046 1.00 60.35 MOL2 C ATOM 6444 CZ TYR D 60−5.206 −43.068 −84.380 1.00 62.83 MOL2 C ATOM 6445 OH TYR D 60 −4.941−42.088 −85.304 1.00 62.53 MOL2 O ATOM 6446 C TYR D 60 −4.910 −47.703−79.776 1.00 91.68 MOL2 C ATOM 6447 O TYR D 60 −4.931 −48.921 −79.9831.00 94.46 MOL2 O ATOM 6448 N ARG D 61 −5.247 −47.164 −78.614 1.00 90.81MOL2 N ATOM 6449 CA ARG D 61 −5.641 −47.944 −77.457 1.00 94.73 MOL2 CATOM 6450 CB ARG D 61 −5.288 −47.146 −76.213 1.00 95.67 MOL2 C ATOM 6451CG ARG D 61 −5.768 −47.721 −74.905 1.00 100.42 MOL2 C ATOM 6452 CD ARG D61 −5.581 −46.685 −73.814 1.00 100.21 MOL2 C ATOM 6453 NE ARG D 61−5.327 −47.288 −72.515 1.00 98.24 MOL2 N ATOM 6454 CZ ARG D 61 −5.114−46.582 −71.415 1.00 101.13 MOL2 C ATOM 6455 NH1 ARG D 61 −5.131 −45.257−71.476 1.00 102.89 MOL2 N ATOM 6456 NH2 ARG D 61 −4.876 −47.194 −70.2631.00 101.10 MOL2 N ATOM 6457 C ARG D 61 −7.144 −48.157 −77.501 1.00101.27 MOL2 C ATOM 6458 O ARG D 61 −7.882 −47.234 −77.842 1.00 106.90MOL2 O ATOM 6459 N ASP D 62 −7.614 −49.354 −77.162 1.00 104.77 MOL2 NATOM 6460 CA ASP D 62 −9.060 −49.592 −77.167 1.00 102.92 MOL2 C ATOM6461 CB ASP D 62 −9.385 −51.071 −76.934 1.00 108.77 MOL2 C ATOM 6462 CGASP D 62 −9.107 −51.927 −78.159 1.00 118.71 MOL2 C ATOM 6463 OD1 ASP D62 −9.686 −51.635 −79.231 1.00 121.33 MOL2 O ATOM 6464 OD2 ASP D 62−8.312 −52.888 −78.054 1.00 122.02 MOL2 O ATOM 6465 C ASP D 62 −9.693−48.752 −76.074 1.00 97.24 MOL2 C ATOM 6466 O ASP D 62 −10.092 −49.275−75.042 1.00 98.94 MOL2 O ATOM 6467 N SER D 63 −9.770 −47.447 −76.3081.00 92.08 MOL2 N ATOM 6468 CA SER D 63 −10.346 −46.514 −75.345 1.0090.99 MOL2 C ATOM 6469 CB SER D 63 −9.567 −46.522 −74.033 1.00 93.68MOL2 C ATOM 6470 OG SER D 63 −9.989 −45.447 −73.210 1.00 93.02 MOL2 OATOM 6471 C SER D 63 −10.358 −45.096 −75.880 1.00 90.23 MOL2 C ATOM 6472O SER D 63 −10.830 −44.174 −75.211 1.00 87.81 MOL2 O ATOM 6473 N VAL D64 −9.798 −44.919 −77.071 1.00 89.75 MOL2 N ATOM 6474 CA VAL D 64 −9.780−43.613 −77.718 1.00 88.97 MOL2 C ATOM 6475 CB VAL D 64 −8.539 −42.757−77.355 1.00 79.69 MOL2 C ATOM 6476 CG1 VAL D 64 −8.510 −42.484 −75.8751.00 78.62 MOL2 C ATOM 6477 CG2 VAL D 64 −7.283 −43.444 −77.803 1.0080.89 MOL2 C ATOM 6478 C VAL D 64 −9.799 −43.810 −79.216 1.00 92.31 MOL2C ATOM 6479 O VAL D 64 −9.427 −42.912 −79.970 1.00 93.73 MOL2 O ATOM6480 N LYS D 65 −10.231 −44.991 −79.646 1.00 95.44 MOL2 N ATOM 6481 CALYS D 65 −10.302 −45.274 −81.068 1.00 104.70 MOL2 C ATOM 6482 CB LYS D65 −10.561 −46.767 −81.295 1.00 110.03 MOL2 C ATOM 6483 CG LYS D 65−10.427 −47.214 −82.750 1.00 120.86 MOL2 C ATOM 6484 CD LYS D 65 −10.767−48.697 −82.898 1.00 131.56 MOL2 C ATOM 6485 CE LYS D 65 −10.699 −49.167−84.351 1.00 134.98 MOL2 C ATOM 6486 NZ LYS D 65 −11.066 −50.612 −84.4861.00 134.04 MOL2 N ATOM 6487 C LYS D 65 −11.423 −44.420 −81.677 1.00107.60 MOL2 C ATOM 6488 O LYS D 65 −12.437 −44.143 −81.025 1.00 106.75MOL2 O ATOM 6489 N GLY D 66 −11.227 −43.987 −82.920 1.00 108.89 MOL2 NATOM 6490 CA GLY D 66 −12.226 −43.163 −83.579 1.00 108.07 MOL2 C ATOM6491 C GLY D 66 −12.202 −41.732 −83.069 1.00 108.09 MOL2 C ATOM 6492 OGLY D 66 −12.325 −40.778 −83.853 1.00 111.82 MOL2 O ATOM 6493 N ARG D 67−12.031 −41.583 −81.756 1.00 100.42 MOL2 N ATOM 6494 CA ARG D 67 −11.997−40.271 −81.119 1.00 96.02 MOL2 C ATOM 6495 CB ARG D 67 −12.311 −40.427−79.633 1.00 92.86 MOL2 C ATOM 6496 CG ARG D 67 −12.980 −41.756 −79.3251.00 93.72 MOL2 C ATOM 6497 CD ARG D 67 −13.668 −41.794 −77.965 1.0097.60 MOL2 C ATOM 6498 NE ARG D 67 −12.752 −41.696 −76.830 1.00 100.96MOL2 N ATOM 6499 CZ ARG D 67 −12.272 −40.556 −76.340 1.00 102.31 MOL2 CATOM 6500 NH1 ARG D 67 −11.443 −40.583 −75.301 1.00 95.79 MOL2 N ATOM6501 NH2 ARG D 67 −12.624 −39.392 −76.879 1.00 99.79 MOL2 N ATOM 6502 CARG D 67 −10.643 −39.592 −81.313 1.00 97.11 MOL2 C ATOM 6503 O ARG D 67−10.574 −38.372 −81.491 1.00 96.74 MOL2 O ATOM 6504 N PHE D 68 −9.573−40.387 −81.280 1.00 95.76 MOL2 N ATOM 6505 CA PHE D 68 −8.216 −39.876−81.464 1.00 92.42 MOL2 C ATOM 6506 CB PHE D 68 −7.263 −40.475 −80.4271.00 91.66 MOL2 C ATOM 6507 CG PHE D 68 −7.269 −39.756 −79.106 1.0093.60 MOL2 C ATOM 6508 CD1 PHE D 68 −7.987 −38.589 −78.939 1.00 91.22MOL2 C ATOM 6509 CD2 PHE D 68 −6.535 −40.239 −78.035 1.00 94.01 MOL2 CATOM 6510 CE1 PHE D 68 −7.970 −37.924 −77.735 1.00 88.23 MOL2 C ATOM6511 CE2 PHE D 68 −6.517 −39.571 −76.828 1.00 90.67 MOL2 C ATOM 6512 CZPHE D 68 −7.234 −38.413 −76.681 1.00 87.13 MOL2 C ATOM 6513 C PHE D 68−7.707 −40.204 −82.857 1.00 90.96 MOL2 C ATOM 6514 O PHE D 68 −8.232−41.104 −83.523 1.00 87.76 MOL2 O ATOM 6515 N THR D 69 −6.675 −39.473−83.279 1.00 90.57 MOL2 N ATOM 6516 CA THR D 69 −6.069 −39.647 −84.5951.00 91.01 MOL2 C ATOM 6517 CB THR D 69 −6.830 −38.814 −85.658 1.00102.06 MOL2 C ATOM 6518 OG1 THR D 69 −8.195 −39.262 −85.735 1.00 110.64MOL2 O ATOM 6519 CG2 THR D 69 −6.166 −38.948 −87.030 1.00 104.69 MOL2 CATOM 6520 C THR D 69 −4.598 −39.222 −84.595 1.00 82.97 MOL2 C ATOM 6521O THR D 69 −4.284 −38.044 −84.439 1.00 75.27 MOL2 O ATOM 6522 N ILE D 70−3.705 −40.191 −84.779 1.00 80.23 MOL2 N ATOM 6523 CA ILE D 70 −2.264−39.944 −84.799 1.00 77.34 MOL2 C ATOM 6524 CB ILE D 70 −1.502 −41.109−84.119 1.00 79.22 MOL2 C ATOM 6525 CG2 ILE D 70 −1.609 −42.366 −84.9801.00 75.94 MOL2 C ATOM 6526 CG1 ILE D 70 −0.040 −40.718 −83.864 1.0078.09 MOL2 C ATOM 6527 CD1 ILE D 70 0.751 −41.757 −83.079 1.00 70.08MOL2 C ATOM 6528 C ILE D 70 −1.770 −39.790 −86.236 1.00 75.49 MOL2 CATOM 6529 O ILE D 70 −2.178 −40.531 −87.129 1.00 74.46 MOL2 O ATOM 6530N SER D 71 −0.875 −38.836 −86.455 1.00 74.47 MOL2 N ATOM 6531 CA SER D71 −0.372 −38.586 −87.799 1.00 76.63 MOL2 C ATOM 6532 CB SER D 71 −1.278−37.584 −88.484 1.00 82.72 MOL2 C ATOM 6533 OG SER D 71 −1.178 −36.331−87.812 1.00 80.06 MOL2 O ATOM 6534 C SER D 71 1.019 −37.984 −87.7761.00 77.66 MOL2 C ATOM 6535 O SER D 71 1.397 −37.343 −86.793 1.00 76.58MOL2 O ATOM 6536 N ARG D 72 1.758 −38.153 −88.875 1.00 74.37 MOL2 N ATOM6537 CA ARG D 72 3.104 −37.591 −88.979 1.00 75.79 MOL2 C ATOM 6538 CBARG D 72 4.164 −38.665 −88.730 1.00 70.15 MOL2 C ATOM 6539 CG ARG D 724.143 −39.800 −89.717 1.00 72.34 MOL2 C ATOM 6540 CD ARG D 72 4.925−40.991 −89.201 1.00 69.56 MOL2 C ATOM 6541 NE ARG D 72 6.348 −40.709−89.071 1.00 73.65 MOL2 N ATOM 6542 CZ ARG D 72 7.192 −41.476 −88.3881.00 77.79 MOL2 C ATOM 6543 NH1 ARG D 72 6.746 −42.565 −87.774 1.0077.00 MOL2 N ATOM 6544 NH2 ARG D 72 8.479 −41.157 −88.316 1.00 77.02MOL2 N ATOM 6545 C ARG D 72 3.351 −36.924 −90.327 1.00 79.00 MOL2 C ATOM6546 O ARG D 72 2.566 −37.088 −91.267 1.00 80.72 MOL2 O ATOM 6547 N ASPD 73 4.455 −36.183 −90.410 1.00 82.17 MOL2 N ATOM 6548 CA ASP D 73 4.832−35.450 −91.615 1.00 87.06 MOL2 C ATOM 6549 CB ASP D 73 5.075 −33.983−91.238 1.00 91.76 MOL2 C ATOM 6550 CG ASP D 73 4.737 −33.015 −92.3631.00 99.70 MOL2 C ATOM 6551 OD1 ASP D 73 4.754 −31.786 −92.108 1.00100.05 MOL2 O ATOM 6552 OD2 ASP D 73 4.457 −33.476 −93.495 1.00 101.53MOL2 O ATOM 6553 C ASP D 73 6.084 −36.020 −92.290 1.00 87.31 MOL2 C ATOM6554 O ASP D 73 6.133 −36.178 −93.509 1.00 93.87 MOL2 O ATOM 6555 N ASND 74 7.094 −36.328 −91.487 1.00 84.23 MOL2 N ATOM 6556 CA ASN D 74 8.351−36.850 −91.999 1.00 79.42 MOL2 C ATOM 6557 CB ASN D 74 8.115 −37.996−92.963 1.00 72.75 MOL2 C ATOM 6558 CG ASN D 74 7.733 −39.255 −92.2511.00 73.16 MOL2 C ATOM 6559 OD1 ASN D 74 7.630 −40.318 −92.853 1.0080.95 MOL2 O ATOM 6560 ND2 ASN D 74 7.519 −39.146 −90.948 1.00 68.82MOL2 N ATOM 6561 C ASN D 74 9.090 −35.723 −92.677 1.00 81.64 MOL2 C ATOM6562 O ASN D 74 10.296 −35.799 −92.909 1.00 87.26 MOL2 O ATOM 6563 N ALAD 75 8.345 −34.681 −93.015 1.00 77.76 MOL2 N ATOM 6564 CA ALA D 75 8.923−33.491 −93.592 1.00 76.86 MOL2 C ATOM 6565 CB ALA D 75 8.081 −33.000−94.724 1.00 71.80 MOL2 C ATOM 6566 C ALA D 75 8.761 −32.611 −92.3641.00 84.05 MOL2 C ATOM 6567 O ALA D 75 7.855 −32.850 −91.554 1.00 81.14MOL2 O ATOM 6568 N LYS D 76 9.635 −31.626 −92.195 1.00 90.91 MOL2 N ATOM6569 CA LYS D 76 9.582 −30.745 −91.021 1.00 98.36 MOL2 C ATOM 6570 CBLYS D 76 8.387 −29.779 −91.114 1.00 103.87 MOL2 C ATOM 6571 CG LYS D 768.652 −28.418 −90.455 1.00 109.13 MOL2 C ATOM 6572 CD LYS D 76 7.739−27.316 −91.012 1.00 115.11 MOL2 C ATOM 6573 CE LYS D 76 8.117 −25.936−90.450 1.00 116.96 MOL2 C ATOM 6574 NZ LYS D 76 7.366 −24.796 −91.0631.00 109.06 MOL2 N ATOM 6575 C LYS D 76 9.555 −31.533 −89.690 1.00 96.32MOL2 C ATOM 6576 O LYS D 76 9.290 −30.967 −88.622 1.00 97.98 MOL2 O ATOM6577 N ASN D 77 9.832 −32.837 −89.780 1.00 90.60 MOL2 N ATOM 6578 CA ASND 77 9.923 −33.741 −88.630 1.00 80.86 MOL2 C ATOM 6579 CB ASN D 7711.292 −33.577 −87.936 1.00 86.75 MOL2 C ATOM 6580 CG ASN D 77 12.456−33.342 −88.912 1.00 87.19 MOL2 C ATOM 6581 OD1 ASN D 77 13.420 −32.625−88.588 1.00 78.03 MOL2 O ATOM 6582 ND2 ASN D 77 12.386 −33.959 −90.0911.00 87.81 MOL2 N ATOM 6583 C ASN D 77 8.868 −33.504 −87.565 1.00 73.53MOL2 C ATOM 6584 O ASN D 77 9.196 −32.963 −86.514 1.00 76.79 MOL2 O ATOM6585 N SER D 78 7.623 −33.897 −87.786 1.00 63.94 MOL2 N ATOM 6586 CA SERD 78 6.628 −33.653 −86.743 1.00 56.85 MOL2 C ATOM 6587 CB SER D 78 5.863−32.354 −87.005 1.00 59.67 MOL2 C ATOM 6588 OG SER D 78 6.551 −31.227−86.488 1.00 63.76 MOL2 O ATOM 6589 C SER D 78 5.644 −34.772 −86.5201.00 50.99 MOL2 C ATOM 6590 O SER D 78 5.284 −35.496 −87.443 1.00 48.98MOL2 O ATOM 6591 N LEU D 79 5.209 −34.885 −85.272 1.00 46.07 MOL2 N ATOM6592 CA LEU D 79 4.279 −35.912 −84.849 1.00 50.82 MOL2 C ATOM 6593 CBLEU D 79 4.934 −36.741 −83.755 1.00 43.72 MOL2 C ATOM 6594 CG LEU D 794.076 −37.885 −83.244 1.00 46.89 MOL2 C ATOM 6595 CD1 LEU D 79 3.956−38.948 −84.311 1.00 36.23 MOL2 C ATOM 6596 CD2 LEU D 79 4.702 −38.440−81.987 1.00 54.82 MOL2 C ATOM 6597 C LEU D 79 3.042 −35.221 −84.2971.00 57.32 MOL2 C ATOM 6598 O LEU D 79 3.165 −34.319 −83.467 1.00 63.41MOL2 O ATOM 6599 N TYR D 80 1.855 −35.652 −84.725 1.00 59.14 MOL2 N ATOM6600 CA TYR D 80 0.620 −35.016 −84.274 1.00 58.02 MOL2 C ATOM 6601 CBTYR D 80 −0.059 −34.341 −85.453 1.00 60.14 MOL2 C ATOM 6602 CG TYR D 800.807 −33.393 −86.229 1.00 54.99 MOL2 C ATOM 6603 CD1 TYR D 80 1.178−32.170 −85.683 1.00 52.64 MOL2 C ATOM 6604 CE1 TYR D 80 1.939 −31.278−86.402 1.00 59.89 MOL2 C ATOM 6605 CD2 TYR D 80 1.228 −33.706 −87.5231.00 47.37 MOL2 C ATOM 6606 CE2 TYR D 80 1.992 −32.821 −88.252 1.0052.27 MOL2 C ATOM 6607 CZ TYR D 80 2.344 −31.603 −87.686 1.00 59.50 MOL2C ATOM 6608 OH TYR D 80 3.098 −30.691 −88.391 1.00 64.84 MOL2 O ATOM6609 C TYR D 80 −0.396 −35.957 −83.665 1.00 59.54 MOL2 C ATOM 6610 O TYRD 80 −0.469 −37.137 −84.037 1.00 58.51 MOL2 O ATOM 6611 N LEU D 81−1.195 −35.416 −82.744 1.00 60.10 MOL2 N ATOM 6612 CA LEU D 81 −2.271−36.185 −82.126 1.00 67.71 MOL2 C ATOM 6613 CB LEU D 81 −1.956 −36.545−80.669 1.00 62.82 MOL2 C ATOM 6614 CG LEU D 81 −2.938 −37.601 −80.1251.00 61.33 MOL2 C ATOM 6615 CD1 LEU D 81 −2.759 −38.913 −80.868 1.0045.84 MOL2 C ATOM 6616 CD2 LEU D 81 −2.724 −37.810 −78.642 1.00 65.24MOL2 C ATOM 6617 C LEU D 81 −3.561 −35.360 −82.184 1.00 71.66 MOL2 CATOM 6618 O LEU D 81 −3.623 −34.248 −81.641 1.00 62.04 MOL2 O ATOM 6619N GLN D 82 −4.575 −35.905 −82.865 1.00 78.53 MOL2 N ATOM 6620 CA GLN D82 −5.869 −35.236 −82.999 1.00 82.97 MOL2 C ATOM 6621 CB GLN D 82 −6.431−35.399 −84.418 1.00 88.33 MOL2 C ATOM 6622 CG GLN D 82 −7.588 −34.445−84.723 1.00 84.59 MOL2 C ATOM 6623 CD GLN D 82 −7.160 −32.983 −84.6941.00 82.81 MOL2 C ATOM 6624 OE1 GLN D 82 −6.554 −32.483 −85.643 1.0087.05 MOL2 O ATOM 6625 NE2 GLN D 82 −7.464 −32.298 −83.599 1.00 72.36MOL2 N ATOM 6626 C GLN D 82 −6.849 −35.823 −81.992 1.00 81.23 MOL2 CATOM 6627 O GLN D 82 −7.336 −36.948 −82.150 1.00 75.67 MOL2 O ATOM 6628N MET D 83 −7.130 −35.040 −80.959 1.00 82.00 MOL2 N ATOM 6629 CA MET D83 −8.024 −35.448 −79.890 1.00 86.17 MOL2 C ATOM 6630 CB MET D 83 −7.446−34.980 −78.541 1.00 88.02 MOL2 C ATOM 6631 CG MET D 83 −6.007 −35.464−78.206 1.00 80.98 MOL2 C ATOM 6632 SD MET D 83 −5.522 −35.280 −76.4251.00 79.63 MOL2 S ATOM 6633 CE MET D 83 −4.961 −33.553 −76.357 1.0052.91 MOL2 C ATOM 6634 C MET D 83 −9.443 −34.886 −80.061 1.00 91.51 MOL2C ATOM 6635 O MET D 83 −9.687 −33.714 −79.761 1.00 87.76 MOL2 O ATOM6636 N ASN D 84 −10.370 −35.726 −80.532 1.00 96.49 MOL2 N ATOM 6637 CAASN D 84 −11.769 −35.331 −80.739 1.00 99.14 MOL2 C ATOM 6638 CB ASN D 84−12.297 −35.848 −82.084 1.00 95.82 MOL2 C ATOM 6639 CG ASN D 84 −11.383−35.533 −83.243 1.00 93.42 MOL2 C ATOM 6640 OD1 ASN D 84 −10.973 −34.386−83.436 1.00 86.04 MOL2 O ATOM 6641 ND2 ASN D 84 −11.072 −36.554 −84.0401.00 94.89 MOL2 N ATOM 6642 C ASN D 84 −12.653 −35.927 −79.649 1.00103.46 MOL2 C ATOM 6643 O ASN D 84 −12.306 −36.954 −79.062 1.00 107.51MOL2 O ATOM 6644 N SER D 85 −13.804 −35.305 −79.398 1.00 105.03 MOL2 NATOM 6645 CA SER D 85 −14.740 −35.813 −78.392 1.00 107.26 MOL2 C ATOM6646 CB SER D 85 −15.378 −37.132 −78.866 1.00 111.39 MOL2 C ATOM 6647 OGSER D 85 −16.139 −36.967 −80.052 1.00 116.59 MOL2 O ATOM 6648 C SER D 85−14.032 −36.065 −77.067 1.00 104.93 MOL2 C ATOM 6649 O SER D 85 −14.312−37.052 −76.378 1.00 105.14 MOL2 O ATOM 6650 N LEU D 86 −13.113 −35.174−76.720 1.00 99.33 MOL2 N ATOM 6651 CA LEU D 86 −12.354 −35.304 −75.4861.00 98.56 MOL2 C ATOM 6652 CB LEU D 86 −11.593 −34.007 −75.189 1.0098.51 MOL2 C ATOM 6653 CG LEU D 86 −10.273 −33.733 −75.920 1.00 99.69MOL2 C ATOM 6654 CD1 LEU D 86 −9.790 −32.325 −75.618 1.00 96.54 MOL2 CATOM 6655 CD2 LEU D 86 −9.231 −34.743 −75.481 1.00 98.93 MOL2 C ATOM6656 C LEU D 86 −13.202 −35.643 −74.272 1.00 98.72 MOL2 C ATOM 6657 OLEU D 86 −13.931 −34.790 −73.778 1.00 98.95 MOL2 O ATOM 6658 N ARG D 87−13.111 −36.883 −73.794 1.00 101.21 MOL2 N ATOM 6659 CA ARG D 87 −13.843−37.291 −72.594 1.00 101.51 MOL2 C ATOM 6660 CB ARG D 87 −13.814 −38.819−72.419 1.00 105.31 MOL2 C ATOM 6661 CG ARG D 87 −14.538 −39.626 −73.5041.00 113.87 MOL2 C ATOM 6662 CD ARG D 87 −16.036 −39.755 −73.237 1.00125.62 MOL2 C ATOM 6663 NE ARG D 87 −16.714 −40.567 −74.249 1.00 134.03MOL2 N ATOM 6664 CZ ARG D 87 −18.010 −40.878 −74.227 1.00 137.45 MOL2 CATOM 6665 NH1 ARG D 87 −18.788 −40.449 −73.240 1.00 138.83 MOL2 N ATOM6666 NH2 ARG D 87 −18.530 −41.622 −75.196 1.00 137.42 MOL2 N ATOM 6667 CARG D 87 −13.105 −36.621 −71.428 1.00 98.36 MOL2 C ATOM 6668 O ARG D 87−12.152 −35.875 −71.640 1.00 94.50 MOL2 O ATOM 6669 N ALA D 88 −13.533−36.885 −70.202 1.00 98.54 MOL2 N ATOM 6670 CA ALA D 88 −12.891 −36.278−69.044 1.00 100.19 MOL2 C ATOM 6671 CB ALA D 88 −13.930 −36.014 −67.9681.00 103.20 MOL2 C ATOM 6672 C ALA D 88 −11.786 −37.181 −68.500 1.00101.21 MOL2 C ATOM 6673 O ALA D 88 −10.823 −36.717 −67.872 1.00 95.02MOL2 O ATOM 6674 N GLU D 89 −11.938 −38.478 −68.746 1.00 100.97 MOL2 NATOM 6675 CA GLU D 89 −10.964 −39.454 −68.290 1.00 101.58 MOL2 C ATOM6676 CB GLU D 89 −11.575 −40.863 −68.315 1.00 104.95 MOL2 C ATOM 6677 CGGLU D 89 −11.812 −41.452 −69.702 1.00 111.56 MOL2 C ATOM 6678 CD GLU D89 −12.453 −42.838 −69.654 1.00 117.47 MOL2 C ATOM 6679 OE1 GLU D 89−12.602 −43.472 −70.724 1.00 117.62 MOL2 O ATOM 6680 OE2 GLU D 89−12.813 −43.294 −68.545 1.00 120.03 MOL2 O ATOM 6681 C GLU D 89 −9.718−39.404 −69.172 1.00 100.85 MOL2 C ATOM 6682 O GLU D 89 −8.835 −40.258−69.063 1.00 104.28 MOL2 O ATOM 6683 N ASP D 90 −9.648 −38.398 −70.0421.00 96.71 MOL2 N ATOM 6684 CA ASP D 90 −8.510 −38.248 −70.941 1.0088.61 MOL2 C ATOM 6685 CB ASP D 90 −8.964 −37.840 −72.340 1.00 88.20MOL2 C ATOM 6686 CG ASP D 90 −9.630 −38.978 −73.087 1.00 94.26 MOL2 CATOM 6687 OD1 ASP D 90 −9.246 −40.146 −72.846 1.00 97.45 MOL2 O ATOM6688 OD2 ASP D 90 −10.522 −38.707 −73.923 1.00 88.46 MOL2 O ATOM 6689 CASP D 90 −7.506 −37.237 −70.443 1.00 84.13 MOL2 C ATOM 6690 O ASP D 90−6.471 −37.051 −71.072 1.00 82.84 MOL2 O ATOM 6691 N THR D 91 −7.806−36.577 −69.323 1.00 80.97 MOL2 N ATOM 6692 CA THR D 91 −6.872 −35.588−68.770 1.00 78.78 MOL2 C ATOM 6693 CB THR D 91 −7.379 −34.903 −67.4801.00 76.06 MOL2 C ATOM 6694 OG1 THR D 91 −8.269 −33.836 −67.810 1.0074.74 MOL2 O ATOM 6695 CG2 THR D 91 −6.198 −34.323 −66.690 1.00 67.86MOL2 C ATOM 6696 C THR D 91 −5.568 −36.264 −68.400 1.00 80.42 MOL2 CATOM 6697 O THR D 91 −5.576 −37.339 −67.798 1.00 85.81 MOL2 O ATOM 6698N ALA D 92 −4.453 −35.624 −68.740 1.00 77.33 MOL2 N ATOM 6699 CA ALA D92 −3.137 −36.179 −68.450 1.00 73.83 MOL2 C ATOM 6700 CB ALA D 92 −3.067−37.628 −68.946 1.00 69.79 MOL2 C ATOM 6701 C ALA D 92 −2.025 −35.377−69.111 1.00 72.09 MOL2 C ATOM 6702 O ALA D 92 −2.260 −34.351 −69.7491.00 72.25 MOL2 O ATOM 6703 N VAL D 93 −0.797 −35.849 −68.935 1.00 70.26MOL2 N ATOM 6704 CA VAL D 93 0.334 −35.221 −69.585 1.00 65.02 MOL2 CATOM 6705 CB VAL D 93 1.548 −35.120 −68.688 1.00 61.28 MOL2 C ATOM 6706CG1 VAL D 93 2.746 −34.691 −69.522 1.00 46.91 MOL2 C ATOM 6707 CG2 VAL D93 1.272 −34.123 −67.562 1.00 60.55 MOL2 C ATOM 6708 C VAL D 93 0.645−36.152 −70.744 1.00 67.42 MOL2 C ATOM 6709 O VAL D 93 0.847 −37.366−70.559 1.00 64.71 MOL2 O ATOM 6710 N TYR D 94 0.643 −35.584 −71.9441.00 65.44 MOL2 N ATOM 6711 CA TYR D 94 0.886 −36.368 −73.127 1.00 61.43MOL2 C ATOM 6712 CB TYR D 94 −0.046 −35.902 −74.241 1.00 63.00 MOL2 CATOM 6713 CG TYR D 94 −1.454 −36.380 −73.983 1.00 61.43 MOL2 C ATOM 6714CD1 TYR D 94 −2.186 −35.883 −72.907 1.00 58.91 MOL2 C ATOM 6715 CE1 TYRD 94 −3.426 −36.398 −72.586 1.00 65.56 MOL2 C ATOM 6716 CD2 TYR D 94−2.008 −37.405 −74.742 1.00 62.03 MOL2 C ATOM 6717 CE2 TYR D 94 −3.248−37.929 −74.433 1.00 71.17 MOL2 C ATOM 6718 CZ TYR D 94 −3.954 −37.425−73.350 1.00 74.81 MOL2 C ATOM 6719 OH TYR D 94 −5.178 −37.977 −73.0171.00 83.02 MOL2 O ATOM 6720 C TYR D 94 2.337 −36.321 −73.525 1.00 59.37MOL2 C ATOM 6721 O TYR D 94 2.927 −35.244 −73.661 1.00 56.47 MOL2 O ATOM6722 N TYR D 95 2.900 −37.521 −73.672 1.00 53.66 MOL2 N ATOM 6723 CA TYRD 95 4.294 −37.713 −74.021 1.00 47.62 MOL2 C ATOM 6724 CB TYR D 95 4.941−38.698 −73.068 1.00 35.07 MOL2 C ATOM 6725 CG TYR D 95 5.205 −38.152−71.705 1.00 29.66 MOL2 C ATOM 6726 CD1 TYR D 95 4.568 −38.696 −70.5881.00 29.99 MOL2 C ATOM 6727 CE1 TYR D 95 4.810 −38.205 −69.309 1.0027.04 MOL2 C ATOM 6728 CD2 TYR D 95 6.093 −37.099 −71.519 1.00 20.23MOL2 C ATOM 6729 CE2 TYR D 95 6.340 −36.601 −70.251 1.00 29.21 MOL2 CATOM 6730 CZ TYR D 95 5.696 −37.161 −69.147 1.00 31.88 MOL2 C ATOM 6731OH TYR D 95 5.936 −36.691 −67.878 1.00 39.95 MOL2 O ATOM 6732 C TYR D 954.530 −38.223 −75.423 1.00 51.77 MOL2 C ATOM 6733 O TYR D 95 3.817−39.092 −75.924 1.00 57.51 MOL2 O ATOM 6734 N CYS D 96 5.578 −37.693−76.029 1.00 50.26 MOL2 N ATOM 6735 CA CYS D 96 5.999 −38.064 −77.3631.00 51.95 MOL2 C ATOM 6736 C CYS D 96 7.170 −39.032 −77.135 1.00 50.54MOL2 C ATOM 6737 O CYS D 96 8.108 −38.704 −76.403 1.00 49.17 MOL2 O ATOM6738 CB CYS D 96 6.470 −36.799 −78.065 1.00 59.27 MOL2 C ATOM 6739 SGCYS D 96 6.930 −36.942 −79.815 1.00 80.95 MOL2 S ATOM 6740 N ALA D 977.133 −40.213 −77.747 1.00 45.76 MOL2 N ATOM 6741 CA ALA D 97 8.209−41.179 −77.532 1.00 41.80 MOL2 C ATOM 6742 CB ALA D 97 7.745 −42.221−76.546 1.00 46.21 MOL2 C ATOM 6743 C ALA D 97 8.737 −41.873 −78.7841.00 45.59 MOL2 C ATOM 6744 O ALA D 97 7.963 −42.456 −79.565 1.00 46.25MOL2 O ATOM 6745 N SER D 98 10.063 −41.849 −78.946 1.00 42.44 MOL2 NATOM 6746 CA SER D 98 10.723 −42.464 −80.103 1.00 40.03 MOL2 C ATOM 6747CB SER D 98 11.696 −41.479 −80.693 1.00 42.55 MOL2 C ATOM 6748 OG SER D98 12.374 −40.862 −79.623 1.00 54.54 MOL2 O ATOM 6749 C SER D 98 11.489−43.703 −79.737 1.00 36.36 MOL2 C ATOM 6750 O SER D 98 11.851 −43.895−78.594 1.00 42.91 MOL2 O ATOM 6751 N PRO D 99 11.761 −44.566 −80.7091.00 37.36 MOL2 N ATOM 6752 CD PRO D 99 11.268 −44.578 −82.092 1.0034.42 MOL2 C ATOM 6753 CA PRO D 99 12.510 −45.782 −80.401 1.00 42.07MOL2 C ATOM 6754 CB PRO D 99 12.008 −46.751 −81.457 1.00 39.85 MOL2 CATOM 6755 CG PRO D 99 11.850 −45.873 −82.636 1.00 38.08 MOL2 C ATOM 6756C PRO D 99 14.019 −45.483 −80.490 1.00 47.47 MOL2 C ATOM 6757 O PRO D 9914.419 −44.382 −80.884 1.00 49.75 MOL2 O ATOM 6758 N PRO D 100 14.867−46.455 −80.122 1.00 47.56 MOL2 N ATOM 6759 CD PRO D 100 14.434 −47.833−79.853 1.00 50.64 MOL2 C ATOM 6760 CA PRO D 100 16.332 −46.377 −80.1191.00 48.54 MOL2 C ATOM 6761 CB PRO D 100 16.726 −47.700 −79.508 1.0049.03 MOL2 C ATOM 6762 CG PRO D 100 15.697 −48.606 −80.077 1.00 52.38MOL2 C ATOM 6763 C PRO D 100 16.981 −46.170 −81.482 1.00 50.59 MOL2 CATOM 6764 O PRO D 100 16.611 −46.807 −82.455 1.00 50.59 MOL2 O ATOM 6765N GLN D 101 17.964 −45.278 −81.522 1.00 56.02 MOL2 N ATOM 6766 CA GLN D101 18.681 −44.943 −82.736 1.00 52.49 MOL2 C ATOM 6767 CB GLN D 10119.703 −43.823 −82.468 1.00 66.20 MOL2 C ATOM 6768 CG GLN D 101 19.377−42.834 −81.318 1.00 81.01 MOL2 C ATOM 6769 CD GLN D 101 19.949 −43.253−79.927 1.00 90.03 MOL2 C ATOM 6770 OE1 GLN D 101 19.424 −44.154 −79.2521.00 80.73 MOL2 O ATOM 6771 NE2 GLN D 101 21.027 −42.585 −79.509 1.0089.51 MOL2 N ATOM 6772 C GLN D 101 19.382 −46.181 −83.304 1.00 53.84MOL2 C ATOM 6773 O GLN D 101 19.583 −46.257 −84.512 1.00 56.95 MOL2 OATOM 6774 N TYR D 102 19.798 −47.138 −82.467 1.00 56.67 MOL2 N ATOM 6775CA TYR D 102 20.401 −48.368 −83.025 1.00 59.06 MOL2 C ATOM 6776 CB TYR D102 21.317 −49.135 −82.038 1.00 53.29 MOL2 C ATOM 6777 CG TYR D 10220.971 −49.019 −80.563 1.00 60.79 MOL2 C ATOM 6778 CD1 TYR D 102 20.040−49.865 −79.978 1.00 58.44 MOL2 C ATOM 6779 CE1 TYR D 102 19.629 −49.684−78.670 1.00 55.09 MOL2 C ATOM 6780 CD2 TYR D 102 21.500 −47.992 −79.7811.00 57.34 MOL2 C ATOM 6781 CE2 TYR D 102 21.092 −47.803 −78.474 1.0056.52 MOL2 C ATOM 6782 CZ TYR D 102 20.147 −48.645 −77.927 1.00 57.97MOL2 C ATOM 6783 OH TYR D 102 19.644 −48.394 −76.666 1.00 64.12 MOL2 OATOM 6784 C TYR D 102 19.201 −49.217 −83.438 1.00 64.63 MOL2 C ATOM 6785O TYR D 102 18.190 −48.662 −83.878 1.00 76.43 MOL2 O ATOM 6786 N TYR D103 19.267 −50.534 −83.321 1.00 56.82 MOL2 N ATOM 6787 CA TYR D 10318.111 −51.346 −83.732 1.00 58.69 MOL2 C ATOM 6788 CB TYR D 103 17.122−51.458 −82.573 1.00 43.86 MOL2 C ATOM 6789 CG TYR D 103 17.538 −52.461−81.545 1.00 43.71 MOL2 C ATOM 6790 CD1 TYR D 103 17.591 −53.806 −81.8451.00 44.13 MOL2 C ATOM 6791 CE1 TYR D 103 18.071 −54.717 −80.938 1.0040.31 MOL2 C ATOM 6792 CD2 TYR D 103 17.967 −52.057 −80.304 1.00 49.09MOL2 C ATOM 6793 CE2 TYR D 103 18.451 −52.956 −79.390 1.00 51.91 MOL2 CATOM 6794 CZ TYR D 103 18.503 −54.282 −79.716 1.00 47.11 MOL2 C ATOM6795 OH TYR D 103 19.030 −55.161 −78.812 1.00 55.04 MOL2 O ATOM 6796 CTYR D 103 17.309 −50.967 −85.011 1.00 65.35 MOL2 C ATOM 6797 O TYR D 10317.717 −51.222 −86.151 1.00 63.13 MOL2 O ATOM 6798 N GLU D 104 16.151−50.358 −84.795 1.00 74.03 MOL2 N ATOM 6799 CA GLU D 104 15.235 −49.998−85.869 1.00 78.43 MOL2 C ATOM 6800 CB GLU D 104 15.699 −48.817 −86.6921.00 80.98 MOL2 C ATOM 6801 CG GLU D 104 14.640 −48.463 −87.754 1.0085.46 MOL2 C ATOM 6802 CD GLU D 104 13.205 −48.758 −87.276 1.00 83.54MOL2 C ATOM 6803 OE1 GLU D 104 12.792 −48.195 −86.246 1.00 88.99 MOL2 OATOM 6804 OE2 GLU D 104 12.479 −49.545 −87.919 1.00 62.12 MOL2 O ATOM6805 C GLU D 104 15.016 −51.128 −86.831 1.00 79.96 MOL2 C ATOM 6806 OGLU D 104 14.310 −52.078 −86.520 1.00 80.54 MOL2 O ATOM 6807 N GLY D 10515.634 −51.006 −88.005 1.00 85.01 MOL2 N ATOM 6808 CA GLY D 105 15.476−52.001 −89.050 1.00 93.60 MOL2 C ATOM 6809 C GLY D 105 14.037 −52.024−89.569 1.00 97.58 MOL2 C ATOM 6810 O GLY D 105 13.798 −52.401 −90.7221.00 102.45 MOL2 O ATOM 6811 N SER D 106 13.100 −51.610 −88.705 1.0092.53 MOL2 N ATOM 6812 CA SER D 106 11.654 −51.559 −88.954 1.00 79.31MOL2 C ATOM 6813 CB SER D 106 11.248 −52.469 −90.112 1.00 78.55 MOL2 CATOM 6814 OG SER D 106 11.367 −53.835 −89.753 1.00 70.96 MOL2 O ATOM6815 C SER D 106 10.973 −52.057 −87.682 1.00 75.84 MOL2 C ATOM 6816 OSER D 106 9.836 −51.701 −87.409 1.00 76.84 MOL2 O ATOM 6817 N ILE D 10711.696 −52.889 −86.928 1.00 70.17 MOL2 N ATOM 6818 CA ILE D 107 11.257−53.508 −85.675 1.00 67.60 MOL2 C ATOM 6819 CB ILE D 107 12.397 −53.559−84.655 1.00 65.73 MOL2 C ATOM 6820 CG2 ILE D 107 11.908 −54.227 −83.3951.00 68.97 MOL2 C ATOM 6821 CG1 ILE D 107 13.584 −54.342 −85.207 1.0064.47 MOL2 C ATOM 6822 CD1 ILE D 107 13.335 −55.820 −85.356 1.00 70.08MOL2 C ATOM 6823 C ILE D 107 10.086 −52.832 −84.975 1.00 73.93 MOL2 CATOM 6824 O ILE D 107 10.231 −51.739 −84.425 1.00 76.91 MOL2 O ATOM 6825N TYR D 108 8.940 −53.506 −84.942 1.00 75.99 MOL2 N ATOM 6826 CA TYR D108 7.739 −52.937 −84.329 1.00 73.60 MOL2 C ATOM 6827 CB TYR D 108 6.497−53.680 −84.859 1.00 78.84 MOL2 C ATOM 6828 CG TYR D 108 5.187 −53.283−84.201 1.00 84.09 MOL2 C ATOM 6829 CD1 TYR D 108 4.714 −51.975 −84.2591.00 81.93 MOL2 C ATOM 6830 CE1 TYR D 108 3.547 −51.600 −83.595 1.0080.60 MOL2 C ATOM 6831 CD2 TYR D 108 4.451 −54.211 −83.470 1.00 88.09MOL2 C ATOM 6832 CE2 TYR D 108 3.288 −53.846 −82.806 1.00 87.51 MOL2 CATOM 6833 CZ TYR D 108 2.844 −52.541 −82.865 1.00 84.81 MOL2 C ATOM 6834OH TYR D 108 1.725 −52.183 −82.144 1.00 82.26 MOL2 O ATOM 6835 C TYR D108 7.736 −52.936 −82.800 1.00 69.77 MOL2 C ATOM 6836 O TYR D 108 7.526−51.887 −82.172 1.00 66.35 MOL2 O ATOM 6837 N ARG D 109 7.976 −54.113−82.222 1.00 63.80 MOL2 N ATOM 6838 CA ARG D 109 7.986 −54.324 −80.7711.00 59.44 MOL2 C ATOM 6839 CB ARG D 109 8.273 −55.796 −80.497 1.0066.44 MOL2 C ATOM 6840 CG ARG D 109 7.355 −56.764 −81.229 1.00 76.80MOL2 C ATOM 6841 CD ARG D 109 5.919 −56.612 −80.765 1.00 85.59 MOL2 CATOM 6842 NE ARG D 109 5.202 −57.885 −80.769 1.00 96.62 MOL2 N ATOM 6843CZ ARG D 109 4.776 −58.508 −81.864 1.00 104.01 MOL2 C ATOM 6844 NH1 ARGD 109 4.988 −57.976 −83.062 1.00 107.13 MOL2 N ATOM 6845 NH2 ARG D 1094.136 −59.668 −81.759 1.00 107.22 MOL2 N ATOM 6846 C ARG D 109 8.958−53.469 −79.946 1.00 53.98 MOL2 C ATOM 6847 O ARG D 109 9.020 −53.580−78.729 1.00 51.15 MOL2 O ATOM 6848 N LEU D 110 9.706 −52.611 −80.6191.00 56.29 MOL2 N ATOM 6849 CA LEU D 110 10.696 −51.731 −79.996 1.0049.13 MOL2 C ATOM 6850 CB LEU D 110 11.282 −50.813 −81.063 1.00 48.52MOL2 C ATOM 6851 CG LEU D 110 12.788 −50.737 −81.240 1.00 47.52 MOL2 CATOM 6852 CD1 LEU D 110 13.380 −52.115 −81.438 1.00 50.99 MOL2 C ATOM6853 CD2 LEU D 110 13.061 −49.876 −82.436 1.00 40.58 MOL2 C ATOM 6854 CLEU D 110 10.200 −50.874 −78.840 1.00 47.05 MOL2 C ATOM 6855 O LEU D 1109.189 −50.191 −78.940 1.00 50.30 MOL2 O ATOM 6856 N TRP D 111 10.940−50.900 −77.741 1.00 49.64 MOL2 N ATOM 6857 CA TRP D 111 10.608 −50.104−76.558 1.00 45.27 MOL2 C ATOM 6858 CB TRP D 111 11.531 −50.467 −75.4051.00 39.40 MOL2 C ATOM 6859 CG TRP D 111 12.966 −50.319 −75.783 1.0041.28 MOL2 C ATOM 6860 CD2 TRP D 111 13.743 −51.256 −76.511 1.00 42.25MOL2 C ATOM 6861 CE2 TRP D 111 15.020 −50.694 −76.697 1.00 43.24 MOL2 CATOM 6862 CE3 TRP D 111 13.483 −52.521 −77.030 1.00 47.78 MOL2 C ATOM6863 CD1 TRP D 111 13.778 −49.246 −75.557 1.00 49.49 MOL2 C ATOM 6864NE1 TRP D 111 15.024 −49.463 −76.102 1.00 45.39 MOL2 N ATOM 6865 CZ2 TRPD 111 16.021 −51.353 −77.377 1.00 48.26 MOL2 C ATOM 6866 CZ3 TRP D 11114.476 −53.170 −77.704 1.00 50.24 MOL2 C ATOM 6867 CH2 TRP D 111 15.730−52.591 −77.874 1.00 49.52 MOL2 C ATOM 6868 C TRP D 111 10.913 −48.692−76.965 1.00 42.86 MOL2 C ATOM 6869 O TRP D 111 11.050 −48.401 −78.1571.00 46.45 MOL2 O ATOM 6870 N PHE D 112 11.029 −47.799 −75.995 1.0039.79 MOL2 N ATOM 6871 CA PHE D 112 11.379 −46.446 −76.367 1.00 42.21MOL2 C ATOM 6872 CB PHE D 112 10.157 −45.626 −76.846 1.00 53.83 MOL2 CATOM 6873 CG PHE D 112 8.855 −45.936 −76.150 1.00 52.89 MOL2 C ATOM 6874CD1 PHE D 112 7.745 −46.333 −76.900 1.00 51.25 MOL2 C ATOM 6875 CD2 PHED 112 8.733 −45.838 −74.782 1.00 49.56 MOL2 C ATOM 6876 CE1 PHE D 1126.548 −46.632 −76.306 1.00 48.12 MOL2 C ATOM 6877 CE2 PHE D 112 7.532−46.137 −74.182 1.00 55.71 MOL2 C ATOM 6878 CZ PHE D 112 6.435 −46.537−74.952 1.00 54.08 MOL2 C ATOM 6879 C PHE D 112 12.162 −45.598 −75.4141.00 39.35 MOL2 C ATOM 6880 O PHE D 112 11.717 −45.330 −74.294 1.0033.59 MOL2 O ATOM 6881 N ALA D 113 13.342 −45.193 −75.901 1.00 37.45MOL2 N ATOM 6882 CA ALA D 113 14.262 −44.290 −75.208 1.00 36.05 MOL2 CATOM 6883 CB ALA D 113 15.657 −44.522 −75.627 1.00 23.09 MOL2 C ATOM6884 C ALA D 113 13.822 −42.978 −75.768 1.00 39.33 MOL2 C ATOM 6885 OALA D 113 13.131 −42.946 −76.769 1.00 47.39 MOL2 O ATOM 6886 N HIS D 11414.208 −41.884 −75.150 1.00 46.27 MOL2 N ATOM 6887 CA HIS D 114 13.787−40.590 −75.673 1.00 48.63 MOL2 C ATOM 6888 CB HIS D 114 14.269 −40.458−77.111 1.00 50.91 MOL2 C ATOM 6889 CG HIS D 114 15.692 −40.869 −77.2941.00 56.10 MOL2 C ATOM 6890 CD2 HIS D 114 16.829 −40.421 −76.712 1.0060.79 MOL2 C ATOM 6891 ND1 HIS D 114 16.068 −41.875 −78.158 1.00 57.90MOL2 N ATOM 6892 CE1 HIS D 114 17.379 −42.029 −78.102 1.00 64.05 MOL2 CATOM 6893 NE2 HIS D 114 17.865 −41.159 −77.232 1.00 69.07 MOL2 N ATOM6894 C HIS D 114 12.267 −40.337 −75.583 1.00 45.81 MOL2 C ATOM 6895 OHIS D 114 11.447 −40.878 −76.346 1.00 35.80 MOL2 O ATOM 6896 N TRP D 11511.933 −39.494 −74.612 1.00 46.75 MOL2 N ATOM 6897 CA TRP D 115 10.586−39.062 −74.316 1.00 44.18 MOL2 C ATOM 6898 CB TRP D 115 10.226 −39.439−72.876 1.00 48.59 MOL2 C ATOM 6899 CG TRP D 115 10.103 −40.894 −72.6091.00 47.04 MOL2 C ATOM 6900 CD2 TRP D 115 8.908 −41.589 −72.242 1.0047.75 MOL2 C ATOM 6901 CE2 TRP D 115 9.228 −42.958 −72.174 1.00 47.16MOL2 C ATOM 6902 CE3 TRP D 115 7.598 −41.185 −71.972 1.00 41.48 MOL2 CATOM 6903 CD1 TRP D 115 11.070 −41.832 −72.732 1.00 45.40 MOL2 C ATOM6904 NE1 TRP D 115 10.555 −43.081 −72.478 1.00 48.57 MOL2 N ATOM 6905CZ2 TRP D 115 8.287 −43.929 −71.851 1.00 46.86 MOL2 C ATOM 6906 CZ3 TRPD 115 6.663 −42.148 −71.653 1.00 47.51 MOL2 C ATOM 6907 CH2 TRP D 1157.011 −43.507 −71.596 1.00 50.61 MOL2 C ATOM 6908 C TRP D 115 10.659−37.539 −74.411 1.00 43.89 MOL2 C ATOM 6909 O TRP D 115 11.731 −36.944−74.245 1.00 36.86 MOL2 O ATOM 6910 N GLY D 116 9.532 −36.902 −74.6821.00 47.55 MOL2 N ATOM 6911 CA GLY D 116 9.535 −35.453 −74.728 1.0052.44 MOL2 C ATOM 6912 C GLY D 116 9.308 −34.980 −73.306 1.00 52.89 MOL2C ATOM 6913 O GLY D 116 9.311 −35.776 −72.382 1.00 54.01 MOL2 O ATOM6914 N GLN D 117 9.120 −33.690 −73.109 1.00 54.85 MOL2 N ATOM 6915 CAGLN D 117 8.871 −33.202 −71.768 1.00 57.81 MOL2 C ATOM 6916 CB GLN D 1179.264 −31.729 −71.701 1.00 65.05 MOL2 C ATOM 6917 CG GLN D 117 9.732−31.160 −73.051 1.00 77.65 MOL2 C ATOM 6918 CD GLN D 117 8.725 −30.196−73.683 1.00 84.05 MOL2 C ATOM 6919 OE1 GLN D 117 8.417 −29.144 −73.1201.00 85.67 MOL2 O ATOM 6920 NE2 GLN D 117 8.214 −30.554 −74.858 1.0087.61 MOL2 N ATOM 6921 C GLN D 117 7.375 −33.402 −71.489 1.00 58.38 MOL2C ATOM 6922 O GLN D 117 6.953 −33.530 −70.339 1.00 59.78 MOL2 O ATOM6923 N GLY D 118 6.589 −33.441 −72.566 1.00 58.82 MOL2 N ATOM 6924 CAGLY D 118 5.151 −33.637 −72.471 1.00 54.19 MOL2 C ATOM 6925 C GLY D 1184.357 −32.363 −72.263 1.00 55.02 MOL2 C ATOM 6926 O GLY D 118 4.900−31.358 −71.793 1.00 51.92 MOL2 O ATOM 6927 N THR D 119 3.074 −32.396−72.633 1.00 56.36 MOL2 N ATOM 6928 CA THR D 119 2.177 −31.244 −72.4391.00 54.88 MOL2 C ATOM 6929 CB THR D 119 1.655 −30.628 −73.744 1.0052.27 MOL2 C ATOM 6930 OG1 THR D 119 1.567 −31.644 −74.751 1.00 44.54MOL2 O ATOM 6931 CG2 THR D 119 2.522 −29.450 −74.171 1.00 50.75 MOL2 CATOM 6932 C THR D 119 0.945 −31.655 −71.666 1.00 54.33 MOL2 C ATOM 6933O THR D 119 0.402 −32.747 −71.867 1.00 55.03 MOL2 O ATOM 6934 N LEU D120 0.488 −30.757 −70.803 1.00 54.06 MOL2 N ATOM 6935 CA LEU D 120−0.682 −31.039 −69.995 0.50 59.28 MOL2 C ATOM 6936 CB LEU D 120 −0.639−30.219 −68.709 1.00 65.21 MOL2 C ATOM 6937 CG LEU D 120 −1.719 −30.637−67.710 1.00 72.15 MOL2 C ATOM 6938 CD1 LEU D 120 −2.020 −32.134 −67.8351.00 72.95 MOL2 C ATOM 6939 CD2 LEU D 120 −1.248 −30.282 −66.310 1.0075.68 MOL2 C ATOM 6940 C LEU D 120 −1.981 −30.776 −70.740 1.00 58.18MOL2 C ATOM 6941 O LEU D 120 −2.146 −29.750 −71.393 1.00 58.09 MOL2 OATOM 6942 N VAL D 121 −2.905 −31.717 −70.623 1.00 58.63 MOL2 N ATOM 6943CA VAL D 121 −4.189 −31.625 −71.291 1.00 65.61 MOL2 C ATOM 6944 CB VAL D121 −4.259 −32.665 −72.409 1.00 66.65 MOL2 C ATOM 6945 CG1 VAL D 121−5.471 −32.437 −73.273 1.00 72.47 MOL2 C ATOM 6946 CG2 VAL D 121 −2.998−32.605 −73.221 1.00 71.38 MOL2 C ATOM 6947 C VAL D 121 −5.290 −31.912−70.278 1.00 72.09 MOL2 C ATOM 6948 O VAL D 121 −5.499 −33.070 −69.9001.00 75.73 MOL2 O ATOM 6949 N THR D 122 −5.994 −30.864 −69.845 1.0076.78 MOL2 N ATOM 6950 CA THR D 122 −7.074 −31.009 −68.860 1.00 77.46MOL2 C ATOM 6951 CB THR D 122 −6.846 −30.073 −67.652 1.00 72.23 MOL2 CATOM 6952 OG1 THR D 122 −6.042 −28.956 −68.051 1.00 62.85 MOL2 O ATOM6953 CG2 THR D 122 −6.144 −30.819 −66.532 1.00 81.85 MOL2 C ATOM 6954 CTHR D 122 −8.500 −30.790 −69.382 1.00 79.79 MOL2 C ATOM 6955 O THR D 122−8.916 −29.669 −69.675 1.00 82.67 MOL2 O ATOM 6956 N VAL D 123 −9.241−31.882 −69.491 1.00 81.95 MOL2 N ATOM 6957 CA VAL D 123 −10.623 −31.848−69.947 1.00 87.80 MOL2 C ATOM 6958 CB VAL D 123 −10.998 −33.178 −70.6581.00 87.08 MOL2 C ATOM 6959 CG1 VAL D 123 −10.485 −34.360 −69.862 1.0090.66 MOL2 C ATOM 6960 CG2 VAL D 123 −12.494 −33.294 −70.794 1.00 87.68MOL2 C ATOM 6961 C VAL D 123 −11.567 −31.638 −68.753 1.00 92.45 MOL2 CATOM 6962 O VAL D 123 −11.915 −32.595 −68.053 1.00 92.78 MOL2 O ATOM6963 N SER D 124 −11.970 −30.389 −68.521 1.00 96.50 MOL2 N ATOM 6964 CASER D 124 −12.876 −30.053 −67.419 1.00 101.35 MOL2 C ATOM 6965 CB SER D124 −12.083 −29.484 −66.233 1.00 104.48 MOL2 C ATOM 6966 OG SER D 124−12.917 −29.260 −65.104 1.00 108.20 MOL2 O ATOM 6967 C SER D 124 −13.926−29.030 −67.871 1.00 101.90 MOL2 C ATOM 6968 O SER D 124 −13.644 −28.163−68.701 1.00 102.22 MOL2 O ATOM 6969 N SER D 125 −15.131 −29.133 −67.3161.00 100.56 MOL2 N ATOM 6970 CA SER D 125 −16.221 −28.225 −67.660 1.0095.36 MOL2 C ATOM 6971 CB SER D 125 −17.568 −28.925 −67.473 1.00 98.73MOL2 C ATOM 6972 OG SER D 125 −17.762 −29.293 −66.116 1.00 104.20 MOL2 OATOM 6973 C SER D 125 −16.194 −26.959 −66.814 1.00 89.46 MOL2 C ATOM6974 O SER D 125 −16.840 −25.974 −67.148 1.00 86.33 MOL2 O ATOM 6975 NALA D 126 −15.450 −26.993 −65.717 1.00 87.90 MOL2 N ATOM 6976 CA ALA D126 −15.351 −25.842 −64.828 1.00 89.29 MOL2 C ATOM 6977 CB ALA D 126−14.423 −26.151 −63.674 1.00 94.78 MOL2 C ATOM 6978 C ALA D 126 −14.855−24.614 −65.566 1.00 89.69 MOL2 C ATOM 6979 O ALA D 126 −14.252 −24.718−66.632 1.00 92.07 MOL2 O ATOM 6980 N LYS D 127 −15.100 −23.451 −64.9751.00 90.14 MOL2 N ATOM 6981 CA LYS D 127 −14.708 −22.176 −65.564 1.0092.16 MOL2 C ATOM 6982 CB LYS D 127 −15.944 −21.289 −65.763 1.00 104.26MOL2 C ATOM 6983 CG LYS D 127 −15.652 −19.877 −66.292 1.00 114.56 MOL2 CATOM 6984 CD LYS D 127 −15.048 −19.903 −67.702 1.00 119.37 MOL2 C ATOM6985 CE LYS D 127 −14.849 −18.500 −68.257 1.00 116.80 MOL2 C ATOM 6986NZ LYS D 127 −14.183 −18.545 −69.584 1.00 117.75 MOL2 N ATOM 6987 C LYSD 127 −13.724 −21.440 −64.679 1.00 86.37 MOL2 C ATOM 6988 O LYS D 127−13.770 −21.548 −63.462 1.00 81.01 MOL2 O ATOM 6989 N THR D 128 −12.850−20.668 −65.306 1.00 86.45 MOL2 N ATOM 6990 CA THR D 128 −11.845 −19.898−64.587 1.00 88.78 MOL2 C ATOM 6991 CB THR D 128 −11.136 −18.903 −65.5551.00 94.01 MOL2 C ATOM 6992 OG1 THR D 128 −12.100 −17.997 −66.106 1.00102.80 MOL2 O ATOM 6993 CG2 THR D 128 −10.464 −19.658 −66.712 1.00 92.70MOL2 C ATOM 6994 C THR D 128 −12.436 −19.125 −63.403 1.00 82.79 MOL2 CATOM 6995 O THR D 128 −13.214 −18.206 −63.594 1.00 86.68 MOL2 O ATOM6996 N THR D 129 −12.063 −19.506 −62.185 1.00 80.34 MOL2 N ATOM 6997 CATHR D 129 −12.541 −18.847 −60.958 1.00 81.32 MOL2 C ATOM 6998 CB THR D129 −13.413 −19.789 −60.086 1.00 76.32 MOL2 C ATOM 6999 OG1 THR D 129−14.608 −20.155 −60.783 1.00 72.46 MOL2 O ATOM 7000 CG2 THR D 129−13.753 −19.111 −58.767 1.00 66.69 MOL2 C ATOM 7001 C THR D 129 −11.366−18.439 −60.059 1.00 88.41 MOL2 C ATOM 7002 O THR D 129 −10.451 −19.233−59.823 1.00 95.15 MOL2 O ATOM 7003 N PRO D 130 −11.372 −17.208 −59.5291.00 89.99 MOL2 N ATOM 7004 CD PRO D 130 −12.421 −16.177 −59.487 1.0094.23 MOL2 C ATOM 7005 CA PRO D 130 −10.248 −16.835 −58.665 1.00 91.27MOL2 C ATOM 7006 CB PRO D 130 −10.413 −15.335 −58.519 1.00 89.62 MOL2 CATOM 7007 CG PRO D 130 −11.896 −15.225 −58.394 1.00 96.63 MOL2 C ATOM7008 C PRO D 130 −10.455 −17.558 −57.339 1.00 93.88 MOL2 C ATOM 7009 OPRO D 130 −11.553 −18.047 −57.051 1.00 88.45 MOL2 O ATOM 7010 N PRO D131 −9.413 −17.600 −56.498 1.00 98.43 MOL2 N ATOM 7011 CD PRO D 131−8.148 −16.857 −56.658 1.00 102.54 MOL2 C ATOM 7012 CA PRO D 131 −9.435−18.260 −55.195 1.00 98.47 MOL2 C ATOM 7013 CB PRO D 131 −7.975 −18.575−54.977 1.00 102.75 MOL2 C ATOM 7014 CG PRO D 131 −7.361 −17.243 −55.3781.00 102.15 MOL2 C ATOM 7015 C PRO D 131 −9.944 −17.357 −54.087 1.0097.59 MOL2 C ATOM 7016 O PRO D 131 −9.760 −16.137 −54.131 1.00 97.03MOL2 O ATOM 7017 N SER D 132 −10.564 −17.980 −53.088 1.00 95.89 MOL2 NATOM 7018 CA SER D 132 −11.072 −17.293 −51.898 1.00 93.25 MOL2 C ATOM7019 CB SER D 132 −12.403 −17.915 −51.454 1.00 93.74 MOL2 C ATOM 7020 OGSER D 132 −13.239 −18.221 −52.562 1.00 91.87 MOL2 O ATOM 7021 C SER D132 −9.993 −17.599 −50.852 1.00 91.14 MOL2 C ATOM 7022 O SER D 132−9.657 −18.769 −50.643 1.00 93.07 MOL2 O ATOM 7023 N VAL D 133 −9.451−16.578 −50.196 1.00 84.88 MOL2 N ATOM 7024 CA VAL D 133 −8.382 −16.810−49.231 1.00 82.43 MOL2 C ATOM 7025 CB VAL D 133 −7.166 −15.975 −49.5611.00 84.02 MOL2 C ATOM 7026 CG1 VAL D 133 −6.151 −16.108 −48.442 1.0088.68 MOL2 C ATOM 7027 CG2 VAL D 133 −6.592 −16.402 −50.898 1.00 87.42MOL2 C ATOM 7028 C VAL D 133 −8.687 −16.523 −47.780 1.00 81.22 MOL2 CATOM 7029 O VAL D 133 −8.857 −15.376 −47.402 1.00 83.29 MOL2 O ATOM 7030N TYR D 134 −8.725 −17.557 −46.951 1.00 84.52 MOL2 N ATOM 7031 CA TYR D134 −8.992 −17.351 −45.531 1.00 86.30 MOL2 C ATOM 7032 CB TYR D 134−10.159 −18.220 −45.022 1.00 85.81 MOL2 C ATOM 7033 CG TYR D 134 −11.338−18.401 −45.964 1.00 90.17 MOL2 C ATOM 7034 CD1 TYR D 134 −11.781−17.377 −46.794 1.00 92.10 MOL2 C ATOM 7035 CE1 TYR D 134 −12.865−17.568 −47.653 1.00 94.29 MOL2 C ATOM 7036 CD2 TYR D 134 −12.011−19.615 −46.015 1.00 94.78 MOL2 C ATOM 7037 CE2 TYR D 134 −13.089−19.815 −46.865 1.00 96.04 MOL2 C ATOM 7038 CZ TYR D 134 −13.513 −18.796−47.680 1.00 96.73 MOL2 C ATOM 7039 OH TYR D 134 −14.584 −19.032 −48.5181.00 95.03 MOL2 O ATOM 7040 C TYR D 134 −7.734 −17.696 −44.739 1.0089.37 MOL2 C ATOM 7041 O TYR D 134 −6.965 −18.587 −45.117 1.00 93.82MOL2 O ATOM 7042 N PRO D 135 −7.509 −16.986 −43.625 1.00 89.74 MOL2 NATOM 7043 CD PRO D 135 −8.262 −15.768 −43.276 1.00 91.40 MOL2 C ATOM7044 CA PRO D 135 −6.360 −17.156 −42.725 1.00 89.81 MOL2 C ATOM 7045 CBPRO D 135 −6.175 −15.754 −42.159 1.00 92.08 MOL2 C ATOM 7046 CG PRO D135 −7.592 −15.324 −41.973 1.00 93.53 MOL2 C ATOM 7047 C PRO D 135−6.570 −18.181 −41.610 1.00 87.93 MOL2 C ATOM 7048 O PRO D 135 −7.551−18.111 −40.879 1.00 88.59 MOL2 O ATOM 7049 N LEU D 136 −5.645 −19.125−41.471 1.00 88.40 MOL2 N ATOM 7050 CA LEU D 136 −5.754 −20.126 −40.4151.00 87.79 MOL2 C ATOM 7051 CB LEU D 136 −5.094 −21.449 −40.823 1.0088.32 MOL2 C ATOM 7052 CG LEU D 136 −5.763 −22.371 −41.841 1.00 87.50MOL2 C ATOM 7053 CD1 LEU D 136 −7.157 −22.734 −41.345 1.00 88.15 MOL2 CATOM 7054 CD2 LEU D 136 −5.832 −21.693 −43.191 1.00 84.04 MOL2 C ATOM7055 C LEU D 136 −5.045 −19.603 −39.181 1.00 90.22 MOL2 C ATOM 7056 OLEU D 136 −3.813 −19.621 −39.116 1.00 93.68 MOL2 O ATOM 7057 N ALA D 137−5.819 −19.135 −38.207 1.00 91.57 MOL2 N ATOM 7058 CA ALA D 137 −5.253−18.616 −36.962 1.00 91.47 MOL2 C ATOM 7059 CB ALA D 137 −5.798 −17.226−36.677 1.00 95.97 MOL2 C ATOM 7060 C ALA D 137 −5.573 −19.558 −35.8001.00 89.69 MOL2 C ATOM 7061 O ALA D 137 −6.616 −20.224 −35.785 1.0081.02 MOL2 O ATOM 7062 N PRO D 138 −4.680 −19.604 −34.798 1.00 91.96MOL2 N ATOM 7063 CD PRO D 138 −3.585 −18.637 −34.624 1.00 92.07 MOL2 CATOM 7064 CA PRO D 138 −4.805 −20.449 −33.605 1.00 96.61 MOL2 C ATOM7065 CB PRO D 138 −3.639 −19.992 −32.720 1.00 90.39 MOL2 C ATOM 7066 CGPRO D 138 −2.680 −19.366 −33.673 1.00 91.23 MOL2 C ATOM 7067 C PRO D 138−6.122 −20.247 −32.888 1.00 101.66 MOL2 C ATOM 7068 O PRO D 138 −6.863−19.318 −33.185 1.00 105.65 MOL2 O ATOM 7069 N GLY D 139 −6.402 −21.125−31.936 1.00 107.92 MOL2 N ATOM 7070 CA GLY D 139 −7.608 −20.995 −31.1471.00 118.65 MOL2 C ATOM 7071 C GLY D 139 −7.190 −20.365 −29.832 1.00127.42 MOL2 C ATOM 7072 O GLY D 139 −6.011 −20.041 −29.646 1.00 127.52MOL2 O ATOM 7073 N SER D 140 −8.141 −20.185 −28.920 1.00 135.65 MOL2 NATOM 7074 CA SER D 140 −7.851 −19.596 −27.615 1.00 143.05 MOL2 C ATOM7075 CB SER D 140 −9.124 −18.992 −27.011 1.00 139.74 MOL2 C ATOM 7076 OGSER D 140 −10.098 −19.993 −26.759 1.00 131.79 MOL2 O ATOM 7077 C SER D140 −7.310 −20.665 −26.667 1.00 150.39 MOL2 C ATOM 7078 O SER D 140−7.655 −20.675 −25.485 1.00 152.05 MOL2 O ATOM 7079 N ALA D 141 −6.474−21.564 −27.190 1.00 156.60 MOL2 N ATOM 7080 CA ALA D 141 −5.892 −22.647−26.394 1.00 160.16 MOL2 C ATOM 7081 CB ALA D 141 −5.860 −23.938 −27.2121.00 159.05 MOL2 C ATOM 7082 C ALA D 141 −4.487 −22.313 −25.884 1.00163.47 MOL2 C ATOM 7083 O ALA D 141 −3.603 −23.176 −25.851 1.00 162.83MOL2 O ATOM 7084 N ALA D 142 −4.299 −21.053 −25.490 1.00 166.92 MOL2 NATOM 7085 CA ALA D 142 −3.030 −20.551 −24.958 1.00 169.09 MOL2 C ATOM7086 CB ALA D 142 −2.801 −21.105 −23.550 1.00 169.18 MOL2 C ATOM 7087 CALA D 142 −1.805 −20.829 −25.834 1.00 170.10 MOL2 C ATOM 7088 O ALA D142 −1.919 −21.350 −26.947 1.00 170.73 MOL2 O ATOM 7089 N GLN D 143−0.633 −20.472 −25.313 1.00 169.73 MOL2 N ATOM 7090 CA GLN D 143 0.630−20.657 −26.025 1.00 169.60 MOL2 C ATOM 7091 CB GLN D 143 1.345 −19.304−26.175 1.00 171.11 MOL2 C ATOM 7092 CG GLN D 143 2.808 −19.384 −26.6511.00 174.47 MOL2 C ATOM 7093 CD GLN D 143 2.960 −19.853 −28.099 1.00176.58 MOL2 C ATOM 7094 OE1 GLN D 143 2.457 −19.213 −29.029 1.00 176.14MOL2 O ATOM 7095 NE2 GLN D 143 3.666 −20.969 −28.294 1.00 175.36 MOL2 NATOM 7096 C GLN D 143 1.576 −21.666 −25.362 1.00 168.61 MOL2 C ATOM 7097O GLN D 143 2.253 −21.353 −24.374 1.00 168.76 MOL2 O ATOM 7098 N THR D144 1.617 −22.875 −25.917 1.00 165.57 MOL2 N ATOM 7099 CA THR D 1442.493 −23.927 −25.417 1.00 162.67 MOL2 C ATOM 7100 CB THR D 144 1.749−25.280 −25.304 1.00 163.46 MOL2 C ATOM 7101 OG1 THR D 144 0.558 −25.108−24.525 1.00 164.15 MOL2 O ATOM 7102 CG2 THR D 144 2.638 −26.330 −24.6331.00 161.04 MOL2 C ATOM 7103 C THR D 144 3.641 −24.067 −26.420 1.00160.35 MOL2 C ATOM 7104 O THR D 144 3.468 −23.802 −27.612 1.00 159.06MOL2 O ATOM 7105 N ASN D 145 4.806 −24.477 −25.926 1.00 157.50 MOL2 NATOM 7106 CA ASN D 145 6.007 −24.656 −26.744 1.00 151.64 MOL2 C ATOM7107 CB ASN D 145 5.756 −25.672 −27.878 1.00 155.26 MOL2 C ATOM 7108 CGASN D 145 7.047 −26.346 −28.370 1.00 156.04 MOL2 C ATOM 7109 OD1 ASN D145 7.834 −26.869 −27.575 1.00 156.83 MOL2 O ATOM 7110 ND2 ASN D 1457.254 −26.345 −29.683 1.00 155.28 MOL2 N ATOM 7111 C ASN D 145 6.497−23.322 −27.312 1.00 144.30 MOL2 C ATOM 7112 O ASN D 145 5.791 −22.309−27.274 1.00 139.79 MOL2 O ATOM 7113 N SER D 146 7.721 −23.336 −27.8271.00 138.02 MOL2 N ATOM 7114 CA SER D 146 8.340 −22.143 −28.379 1.00132.73 MOL2 C ATOM 7115 CB SER D 146 9.865 −22.288 −28.356 1.00 131.99MOL2 C ATOM 7116 OG SER D 146 10.355 −22.370 −27.030 1.00 132.70 MOL2 OATOM 7117 C SER D 146 7.899 −21.800 −29.794 1.00 129.36 MOL2 C ATOM 7118O SER D 146 8.140 −20.688 −30.258 1.00 133.00 MOL2 O ATOM 7119 N MET D147 7.249 −22.733 −30.481 1.00 122.87 MOL2 N ATOM 7120 CA MET D 1476.831 −22.467 −31.851 1.00 116.75 MOL2 C ATOM 7121 CB MET D 147 7.433−23.516 −32.789 1.00 120.71 MOL2 C ATOM 7122 CG MET D 147 8.942 −23.699−32.641 1.00 125.86 MOL2 C ATOM 7123 SD MET D 147 9.939 −22.254 −33.0971.00 130.92 MOL2 S ATOM 7124 CE MET D 147 10.431 −22.679 −34.789 1.00132.60 MOL2 C ATOM 7125 C MET D 147 5.326 −22.418 −32.046 1.00 112.57MOL2 C ATOM 7126 O MET D 147 4.564 −23.045 −31.306 1.00 111.57 MOL2 OATOM 7127 N VAL D 148 4.905 −21.661 −33.053 1.00 108.32 MOL2 N ATOM 7128CA VAL D 148 3.490 −21.535 −33.365 1.00 106.32 MOL2 C ATOM 7129 CB VAL D148 2.960 −20.149 −33.012 1.00 110.34 MOL2 C ATOM 7130 CG1 VAL D 1481.446 −20.208 −32.891 1.00 111.40 MOL2 C ATOM 7131 CG2 VAL D 148 3.602−19.657 −31.723 1.00 111.14 MOL2 C ATOM 7132 C VAL D 148 3.269 −21.774−34.848 1.00 103.55 MOL2 C ATOM 7133 O VAL D 148 4.022 −21.280 −35.6921.00 104.24 MOL2 O ATOM 7134 N THR D 149 2.231 −22.536 −35.164 1.0098.66 MOL2 N ATOM 7135 CA THR D 149 1.935 −22.851 −36.549 1.00 96.52MOL2 C ATOM 7136 CB THR D 149 1.669 −24.363 −36.713 1.00 98.96 MOL2 CATOM 7137 OG1 THR D 149 2.910 −25.080 −36.671 1.00 93.78 MOL2 O ATOM7138 CG2 THR D 149 0.951 −24.638 −38.020 1.00 100.27 MOL2 C ATOM 7139 CTHR D 149 0.724 −22.082 −37.049 1.00 93.42 MOL2 C ATOM 7140 O THR D 149−0.354 −22.158 −36.454 1.00 91.24 MOL2 O ATOM 7141 N LEU D 150 0.907−21.333 −38.132 1.00 89.17 MOL2 N ATOM 7142 CA LEU D 150 −0.193 −20.578−38.715 1.00 86.07 MOL2 C ATOM 7143 CB LEU D 150 0.136 −19.087 −38.7771.00 90.77 MOL2 C ATOM 7144 CG LEU D 150 −0.033 −18.397 −37.427 1.0088.03 MOL2 C ATOM 7145 CD1 LEU D 150 −1.311 −18.924 −36.788 1.00 82.95MOL2 C ATOM 7146 CD2 LEU D 150 1.159 −18.679 −36.532 1.00 90.89 MOL2 CATOM 7147 C LEU D 150 −0.477 −21.120 −40.101 1.00 83.75 MOL2 C ATOM 7148O LEU D 150 0.377 −21.775 −40.705 1.00 81.69 MOL2 O ATOM 7149 N GLY D151 −1.677 −20.853 −40.605 1.00 79.74 MOL2 N ATOM 7150 CA GLY D 151−2.031 −21.370 −41.908 1.00 82.13 MOL2 C ATOM 7151 C GLY D 151 −2.755−20.401 −42.809 1.00 83.28 MOL2 C ATOM 7152 O GLY D 151 −3.049 −19.271−42.433 1.00 84.80 MOL2 O ATOM 7153 N CYS D 152 −3.050 −20.861 −44.0141.00 83.96 MOL2 N ATOM 7154 CA CYS D 152 −3.731 −20.038 −44.984 1.0084.35 MOL2 C ATOM 7155 C CYS D 152 −4.481 −20.952 −45.943 1.00 82.11MOL2 C ATOM 7156 O CYS D 152 −3.868 −21.646 −46.759 1.00 86.66 MOL2 OATOM 7157 CB CYS D 152 −2.708 −19.191 −45.731 1.00 94.24 MOL2 C ATOM7158 SG CYS D 152 −3.447 −18.069 −46.950 1.00 115.85 MOL2 S ATOM 7159 NLEU D 153 −5.806 −20.974 −45.828 1.00 73.20 MOL2 N ATOM 7160 CA LEU D153 −6.622 −21.816 −46.694 1.00 70.35 MOL2 C ATOM 7161 CB LEU D 153−7.883 −22.280 −45.950 1.00 64.70 MOL2 C ATOM 7162 CG LEU D 153 −8.887−23.091 −46.786 1.00 68.18 MOL2 C ATOM 7163 CD1 LEU D 153 −8.173 −24.268−47.414 1.00 73.13 MOL2 C ATOM 7164 CD2 LEU D 153 −10.045 −23.583−45.929 1.00 64.94 MOL2 C ATOM 7165 C LEU D 153 −7.005 −21.088 −47.9921.00 71.66 MOL2 C ATOM 7166 O LEU D 153 −7.522 −19.980 −47.967 1.0076.30 MOL2 O ATOM 7167 N VAL D 154 −6.734 −21.716 −49.127 1.00 69.81MOL2 N ATOM 7168 CA VAL D 154 −7.047 −21.137 −50.421 1.00 65.94 MOL2 CATOM 7169 CB VAL D 154 −5.778 −21.102 −51.301 1.00 68.33 MOL2 C ATOM7170 CG1 VAL D 154 −6.106 −20.627 −52.707 1.00 68.34 MOL2 C ATOM 7171CG2 VAL D 154 −4.747 −20.179 −50.651 1.00 67.27 MOL2 C ATOM 7172 C VAL D154 −8.140 −21.999 −51.033 1.00 67.13 MOL2 C ATOM 7173 O VAL D 154−7.877 −23.061 −51.616 1.00 68.63 MOL2 O ATOM 7174 N LYS D 155 −9.378−21.536 −50.892 1.00 66.86 MOL2 N ATOM 7175 CA LYS D 155 −10.525 −22.293−51.390 1.00 74.83 MOL2 C ATOM 7176 CB LYS D 155 −11.660 −22.258 −50.3541.00 78.06 MOL2 C ATOM 7177 CG LYS D 155 −12.702 −23.379 −50.523 1.0082.35 MOL2 C ATOM 7178 CD LYS D 155 −13.491 −23.616 −49.227 1.00 82.38MOL2 C ATOM 7179 CE LYS D 155 −14.386 −24.856 −49.318 1.00 81.12 MOL2 CATOM 7180 NZ LYS D 155 −15.380 −24.801 −50.442 1.00 79.53 MOL2 N ATOM7181 C LYS D 155 −11.096 −21.928 −52.761 1.00 77.15 MOL2 C ATOM 7182 OLYS D 155 −10.905 −20.813 −53.270 1.00 76.18 MOL2 O ATOM 7183 N GLY D156 −11.800 −22.905 −53.339 1.00 78.12 MOL2 N ATOM 7184 CA GLY D 156−12.443 −22.766 −54.638 1.00 81.40 MOL2 C ATOM 7185 C GLY D 156 −11.833−21.890 −55.726 1.00 83.33 MOL2 C ATOM 7186 O GLY D 156 −12.312 −20.784−55.986 1.00 87.51 MOL2 O ATOM 7187 N TYR D 157 −10.783 −22.377 −56.3751.00 81.41 MOL2 N ATOM 7188 CA TYR D 157 −10.164 −21.622 −57.450 1.0079.33 MOL2 C ATOM 7189 CB TYR D 157 −8.839 −21.031 −57.000 1.00 80.57MOL2 C ATOM 7190 CG TYR D 157 −7.844 −22.078 −56.617 1.00 91.76 MOL2 CATOM 7191 CD1 TYR D 157 −7.775 −22.559 −55.320 1.00 97.13 MOL2 C ATOM7192 CE1 TYR D 157 −6.878 −23.548 −54.980 1.00 100.61 MOL2 C ATOM 7193CD2 TYR D 157 −6.991 −22.615 −57.562 1.00 96.42 MOL2 C ATOM 7194 CE2 TYRD 157 −6.096 −23.601 −57.235 1.00 99.83 MOL2 C ATOM 7195 CZ TYR D 157−6.040 −24.063 −55.948 1.00 100.07 MOL2 C ATOM 7196 OH TYR D 157 −5.125−25.035 −55.638 1.00 102.18 MOL2 O ATOM 7197 C TYR D 157 −9.954 −22.585−58.606 1.00 79.39 MOL2 C ATOM 7198 O TYR D 157 −9.916 −23.804 −58.4041.00 77.77 MOL2 O ATOM 7199 N PHE D 158 −9.821 −22.032 −59.810 1.0080.14 MOL2 N ATOM 7200 CA PHE D 158 −9.658 −22.829 −61.022 1.00 82.87MOL2 C ATOM 7201 CB PHE D 158 −11.019 −23.382 −61.454 1.00 78.27 MOL2 CATOM 7202 CG PHE D 158 −10.950 −24.358 −62.583 1.00 77.77 MOL2 C ATOM7203 CD1 PHE D 158 −11.146 −25.710 −62.356 1.00 82.81 MOL2 C ATOM 7204CD2 PHE D 158 −10.703 −23.928 −63.872 1.00 74.35 MOL2 C ATOM 7205 CE1PHE D 158 −11.098 −26.618 −63.400 1.00 85.17 MOL2 C ATOM 7206 CE2 PHE D158 −10.652 −24.823 −64.919 1.00 77.99 MOL2 C ATOM 7207 CZ PHE D 158−10.851 −26.172 −64.685 1.00 81.90 MOL2 C ATOM 7208 C PHE D 158 −9.104−21.956 −62.133 1.00 85.00 MOL2 C ATOM 7209 O PHE D 158 −9.521 −20.828−62.307 1.00 88.25 MOL2 O ATOM 7210 N PRO D 159 −8.150 −22.472 −62.8971.00 89.94 MOL2 N ATOM 7211 CD PRO D 159 −7.851 −21.969 −64.249 1.0092.24 MOL2 C ATOM 7212 CA PRO D 159 −7.627 −23.822 −62.700 1.00 93.46MOL2 C ATOM 7213 CB PRO D 159 −7.566 −24.358 −64.115 1.00 99.28 MOL2 CATOM 7214 CG PRO D 159 −7.094 −23.128 −64.881 1.00 102.81 MOL2 C ATOM7215 C PRO D 159 −6.246 −23.737 −62.051 1.00 93.51 MOL2 C ATOM 7216 OPRO D 159 −5.829 −22.671 −61.582 1.00 87.00 MOL2 O ATOM 7217 N GLU D 160−5.551 −24.866 −62.018 1.00 94.34 MOL2 N ATOM 7218 CA GLU D 160 −4.214−24.906 −61.465 1.00 94.97 MOL2 C ATOM 7219 CB GLU D 160 −3.640 −26.307−61.643 1.00 102.82 MOL2 C ATOM 7220 CG GLU D 160 −4.451 −27.404 −60.9831.00 104.68 MOL2 C ATOM 7221 CD GLU D 160 −4.126 −27.551 −59.516 1.00107.82 MOL2 C ATOM 7222 OE1 GLU D 160 −4.149 −26.529 −58.792 1.00 106.91MOL2 O ATOM 7223 OE2 GLU D 160 −3.843 −28.693 −59.094 1.00 109.05 MOL2 OATOM 7224 C GLU D 160 −3.441 −23.926 −62.330 1.00 94.31 MOL2 C ATOM 7225O GLU D 160 −3.754 −23.751 −63.500 1.00 97.38 MOL2 O ATOM 7226 N PRO D161 −2.402 −23.303 −61.785 1.00 93.91 MOL2 N ATOM 7227 CD PRO D 161−1.293 −22.753 −62.584 1.00 99.05 MOL2 C ATOM 7228 CA PRO D 161 −1.973−23.515 −60.413 1.00 96.35 MOL2 C ATOM 7229 CB PRO D 161 −0.544 −23.974−60.601 1.00 105.77 MOL2 C ATOM 7230 CG PRO D 161 −0.067 −22.959 −61.6581.00 104.99 MOL2 C ATOM 7231 C PRO D 161 −2.016 −22.201 −59.663 1.0093.78 MOL2 C ATOM 7232 O PRO D 161 −2.131 −21.139 −60.265 1.00 91.29MOL2 O ATOM 7233 N VAL D 162 −1.916 −22.287 −58.344 1.00 91.79 MOL2 NATOM 7234 CA VAL D 162 −1.883 −21.109 −57.493 1.00 87.39 MOL2 C ATOM7235 CB VAL D 162 −2.845 −21.211 −56.278 1.00 90.09 MOL2 C ATOM 7236 CG1VAL D 162 −2.479 −20.146 −55.241 1.00 87.38 MOL2 C ATOM 7237 CG2 VAL D162 −4.283 −21.031 −56.715 1.00 87.82 MOL2 C ATOM 7238 C VAL D 162−0.481 −21.118 −56.938 1.00 85.24 MOL2 C ATOM 7239 O VAL D 162 0.134−22.181 −56.827 1.00 89.31 MOL2 O ATOM 7240 N THR D 163 0.030 −19.950−56.588 1.00 80.88 MOL2 N ATOM 7241 CA THR D 163 1.361 −19.885 −56.0141.00 85.73 MOL2 C ATOM 7242 CB THR D 163 2.342 −19.078 −56.916 1.0088.94 MOL2 C ATOM 7243 OG1 THR D 163 2.954 −18.025 −56.154 1.00 87.05MOL2 O ATOM 7244 CG2 THR D 163 1.609 −18.498 −58.123 1.00 90.22 MOL2 CATOM 7245 C THR D 163 1.272 −19.231 −54.650 1.00 83.87 MOL2 C ATOM 7246O THR D 163 0.841 −18.092 −54.543 1.00 82.71 MOL2 O ATOM 7247 N VAL D164 1.655 −19.956 −53.603 1.00 85.61 MOL2 N ATOM 7248 CA VAL D 164 1.619−19.373 −52.270 1.00 85.22 MOL2 C ATOM 7249 CB VAL D 164 0.825 −20.216−51.277 1.00 81.96 MOL2 C ATOM 7250 CG1 VAL D 164 0.810 −19.517 −49.9181.00 72.46 MOL2 C ATOM 7251 CG2 VAL D 164 −0.592 −20.415 −51.792 1.0077.75 MOL2 C ATOM 7252 C VAL D 164 3.009 −19.142 −51.712 1.00 89.12 MOL2C ATOM 7253 O VAL D 164 3.959 −19.864 −52.029 1.00 92.47 MOL2 O ATOM7254 N THR D 165 3.113 −18.113 −50.882 1.00 91.76 MOL2 N ATOM 7255 CATHR D 165 4.377 −17.723 −50.275 1.00 99.22 MOL2 C ATOM 7256 CB THR D 1655.179 −16.788 −51.205 1.00 106.57 MOL2 C ATOM 7257 OG1 THR D 165 5.686−15.683 −50.439 1.00 108.68 MOL2 O ATOM 7258 CG2 THR D 165 4.292 −16.259−52.343 1.00 106.51 MOL2 C ATOM 7259 C THR D 165 4.115 −16.958 −48.9891.00 97.95 MOL2 C ATOM 7260 O THR D 165 3.040 −16.400 −48.812 1.00 95.05MOL2 O ATOM 7261 N TRP D 166 5.094 −16.929 −48.091 1.00 100.90 MOL2 NATOM 7262 CA TRP D 166 4.923 −16.198 −46.842 1.00 105.67 MOL2 C ATOM7263 CB TRP D 166 5.028 −17.136 −45.626 1.00 109.45 MOL2 C ATOM 7264 CGTRP D 166 3.847 −18.088 −45.503 1.00 114.29 MOL2 C ATOM 7265 CD2 TRP D166 2.735 −17.973 −44.605 1.00 116.27 MOL2 C ATOM 7266 CE2 TRP D 1661.847 −19.031 −44.899 1.00 117.82 MOL2 C ATOM 7267 CE3 TRP D 166 2.401−17.076 −43.586 1.00 119.27 MOL2 C ATOM 7268 CD1 TRP D 166 3.594 −19.188−46.277 1.00 117.59 MOL2 C ATOM 7269 NE1 TRP D 166 2.395 −19.759 −45.9211.00 115.70 MOL2 N ATOM 7270 CZ2 TRP D 166 0.648 −19.214 −44.213 1.00120.98 MOL2 C ATOM 7271 CZ3 TRP D 166 1.207 −17.259 −42.905 1.00 122.60MOL2 C ATOM 7272 CH2 TRP D 166 0.345 −18.319 −43.223 1.00 123.26 MOL2 CATOM 7273 C TRP D 166 5.910 −15.038 −46.728 1.00 109.48 MOL2 C ATOM 7274O TRP D 166 7.126 −15.207 −46.875 1.00 109.46 MOL2 O ATOM 7275 N ASN D167 5.353 −13.856 −46.466 1.00 113.38 MOL2 N ATOM 7276 CA ASN D 1676.104 −12.608 −46.352 1.00 114.54 MOL2 C ATOM 7277 CB ASN D 167 6.947−12.600 −45.078 1.00 118.94 MOL2 C ATOM 7278 CG ASN D 167 6.109 −12.324−43.834 1.00 124.05 MOL2 C ATOM 7279 OD1 ASN D 167 4.937 −12.710 −43.7601.00 122.77 MOL2 O ATOM 7280 ND2 ASN D 167 6.711 −11.663 −42.847 1.00127.26 MOL2 N ATOM 7281 C ASN D 167 6.952 −12.374 −47.594 1.00 114.51MOL2 C ATOM 7282 O ASN D 167 8.093 −11.908 −47.529 1.00 112.51 MOL2 OATOM 7283 N SER D 168 6.349 −12.713 −48.729 1.00 114.88 MOL2 N ATOM 7284CA SER D 168 6.948 −12.559 −50.046 1.00 117.71 MOL2 C ATOM 7285 CB SER D168 7.043 −11.068 −50.384 1.00 120.77 MOL2 C ATOM 7286 OG SER D 1685.760 −10.461 −50.326 1.00 120.73 MOL2 O ATOM 7287 C SER D 168 8.308−13.240 −50.236 1.00 118.45 MOL2 C ATOM 7288 O SER D 168 9.033 −12.940−51.190 1.00 119.88 MOL2 O ATOM 7289 N GLY D 169 8.647 −14.167 −49.3451.00 116.49 MOL2 N ATOM 7290 CA GLY D 169 9.916 −14.863 −49.470 1.00115.34 MOL2 C ATOM 7291 C GLY D 169 10.733 −14.831 −48.196 1.00 116.67MOL2 C ATOM 7292 O GLY D 169 11.731 −15.547 −48.068 1.00 116.08 MOL2 OATOM 7293 N SER D 170 10.305 −13.991 −47.257 1.00 117.66 MOL2 N ATOM7294 CA SER D 170 10.968 −13.838 −45.962 1.00 118.92 MOL2 C ATOM 7295 CBSER D 170 10.208 −12.789 −45.123 1.00 118.48 MOL2 C ATOM 7296 OG SER D170 10.823 −12.535 −43.870 1.00 117.76 MOL2 O ATOM 7297 C SER D 17011.005 −15.193 −45.236 1.00 118.99 MOL2 C ATOM 7298 O SER D 170 12.025−15.567 −44.638 1.00 120.02 MOL2 O ATOM 7299 N LEU D 171 9.890 −15.922−45.299 1.00 114.98 MOL2 N ATOM 7300 CA LEU D 171 9.788 −17.233 −44.6641.00 111.28 MOL2 C ATOM 7301 CB LEU D 171 8.481 −17.377 −43.885 1.00106.75 MOL2 C ATOM 7302 CG LEU D 171 8.112 −16.341 −42.832 1.00 104.87MOL2 C ATOM 7303 CD1 LEU D 171 9.349 −15.874 −42.057 1.00 102.21 MOL2 CATOM 7304 CD2 LEU D 171 7.458 −15.196 −43.537 1.00 104.02 MOL2 C ATOM7305 C LEU D 171 9.815 −18.323 −45.712 1.00 112.63 MOL2 C ATOM 7306 OLEU D 171 8.872 −18.450 −46.488 1.00 113.84 MOL2 O ATOM 7307 N SER D 17210.885 −19.114 −45.734 1.00 116.51 MOL2 N ATOM 7308 CA SER D 172 10.991−20.211 −46.699 1.00 120.66 MOL2 C ATOM 7309 CB SER D 172 12.198 −20.009−47.633 1.00 122.80 MOL2 C ATOM 7310 OG SER D 172 13.427 −19.984 −46.9241.00 128.10 MOL2 O ATOM 7311 C SER D 172 11.115 −21.546 −45.966 1.00120.50 MOL2 C ATOM 7312 O SER D 172 10.645 −22.582 −46.451 1.00 117.91MOL2 O ATOM 7313 N SER D 173 11.737 −21.494 −44.787 1.00 120.00 MOL2 NATOM 7314 CA SER D 173 11.958 −22.666 −43.943 1.00 117.46 MOL2 C ATOM7315 CB SER D 173 13.241 −22.490 −43.119 1.00 119.76 MOL2 C ATOM 7316 OGSER D 173 13.086 −21.472 −42.140 1.00 120.60 MOL2 O ATOM 7317 C SER D173 10.791 −22.871 −42.988 1.00 113.90 MOL2 C ATOM 7318 O SER D 17310.213 −21.907 −42.487 1.00 111.94 MOL2 O ATOM 7319 N GLY D 174 10.460−24.129 −42.724 1.00 111.91 MOL2 N ATOM 7320 CA GLY D 174 9.361 −24.417−41.819 1.00 109.17 MOL2 C ATOM 7321 C GLY D 174 8.008 −24.127 −42.4471.00 105.52 MOL2 C ATOM 7322 O GLY D 174 7.022 −23.867 −41.753 1.0099.48 MOL2 O ATOM 7323 N VAL D 175 7.961 −24.171 −43.773 1.00 103.61MOL2 N ATOM 7324 CA VAL D 175 6.718 −23.913 −44.481 1.00 99.51 MOL2 CATOM 7325 CB VAL D 175 6.875 −22.731 −45.459 1.00 105.14 MOL2 C ATOM7326 CG1 VAL D 175 5.512 −22.351 −46.038 1.00 105.60 MOL2 C ATOM 7327CG2 VAL D 175 7.528 −21.549 −44.742 1.00 101.57 MOL2 C ATOM 7328 C VAL D175 6.264 −25.151 −45.245 1.00 94.61 MOL2 C ATOM 7329 O VAL D 175 7.066−25.840 −45.888 1.00 96.65 MOL2 O ATOM 7330 N HIS D 176 4.971 −25.434−45.156 1.00 87.43 MOL2 N ATOM 7331 CA HIS D 176 4.397 −26.587 −45.8341.00 86.07 MOL2 C ATOM 7332 CB HIS D 176 3.950 −27.660 −44.827 1.0086.41 MOL2 C ATOM 7333 CG HIS D 176 5.073 −28.275 −44.049 1.00 88.28MOL2 C ATOM 7334 CD2 HIS D 176 5.081 −28.931 −42.864 1.00 88.64 MOL2 CATOM 7335 ND1 HIS D 176 6.380 −28.259 −44.487 1.00 88.23 MOL2 N ATOM7336 CE1 HIS D 176 7.146 −28.875 −43.604 1.00 88.02 MOL2 C ATOM 7337 NE2HIS D 176 6.382 −29.292 −42.610 1.00 89.74 MOL2 N ATOM 7338 C HIS D 1763.190 −26.170 −46.646 1.00 81.52 MOL2 C ATOM 7339 O HIS D 176 2.136−25.899 −46.086 1.00 80.11 MOL2 O ATOM 7340 N THR D 177 3.340 −26.116−47.962 1.00 76.57 MOL2 N ATOM 7341 CA THR D 177 2.224 −25.754 −48.8161.00 72.97 MOL2 C ATOM 7342 CB THR D 177 2.662 −24.744 −49.877 1.0080.82 MOL2 C ATOM 7343 OG1 THR D 177 3.372 −23.671 −49.242 1.00 85.30MOL2 O ATOM 7344 CG2 THR D 177 1.450 −24.183 −50.599 1.00 83.37 MOL2 CATOM 7345 C THR D 177 1.772 −27.051 −49.467 1.00 67.91 MOL2 C ATOM 7346O THR D 177 2.470 −27.619 −50.313 1.00 70.89 MOL2 O ATOM 7347 N PHE D178 0.601 −27.513 −49.056 1.00 60.03 MOL2 N ATOM 7348 CA PHE D 178 0.041−28.771 −49.527 1.00 61.67 MOL2 C ATOM 7349 CB PHE D 178 −1.032 −29.216−48.529 1.00 68.29 MOL2 C ATOM 7350 CG PHE D 178 −0.528 −29.307 −47.1001.00 73.75 MOL2 C ATOM 7351 CD1 PHE D 178 −0.041 −30.499 −46.590 1.0072.53 MOL2 C ATOM 7352 CD2 PHE D 178 −0.482 −28.183 −46.293 1.00 75.98MOL2 C ATOM 7353 CE1 PHE D 178 0.481 −30.564 −45.314 1.00 71.77 MOL2 CATOM 7354 CE2 PHE D 178 0.041 −28.247 −45.013 1.00 76.50 MOL2 C ATOM7355 CZ PHE D 178 0.523 −29.436 −44.527 1.00 73.58 MOL2 C ATOM 7356 CPHE D 178 −0.531 −28.770 −50.931 1.00 60.36 MOL2 C ATOM 7357 O PHE D 178−0.891 −27.736 −51.465 1.00 62.95 MOL2 O ATOM 7358 N PRO D 179 −0.579−29.944 −51.561 1.00 63.42 MOL2 N ATOM 7359 CD PRO D 179 0.313 −31.052−51.192 1.00 71.38 MOL2 C ATOM 7360 CA PRO D 179 −1.104 −30.153 −52.9081.00 68.95 MOL2 C ATOM 7361 CB PRO D 179 −0.856 −31.636 −53.137 1.0070.55 MOL2 C ATOM 7362 CG PRO D 179 0.475 −31.800 −52.516 1.00 74.91MOL2 C ATOM 7363 C PRO D 179 −2.577 −29.813 −52.968 1.00 70.15 MOL2 CATOM 7364 O PRO D 179 −3.340 −30.171 −52.072 1.00 70.16 MOL2 O ATOM 7365N ALA D 180 −2.980 −29.115 −54.018 1.00 72.73 MOL2 N ATOM 7366 CA ALA D180 −4.382 −28.767 −54.157 1.00 74.70 MOL2 C ATOM 7367 CB ALA D 180−4.580 −27.830 −55.315 1.00 76.02 MOL2 C ATOM 7368 C ALA D 180 −5.172−30.038 −54.388 1.00 78.51 MOL2 C ATOM 7369 O ALA D 180 −4.664 −31.013−54.952 1.00 80.95 MOL2 O ATOM 7370 N VAL D 181 −6.415 −30.040 −53.9351.00 83.08 MOL2 N ATOM 7371 CA VAL D 181 −7.260 −31.205 −54.138 1.0086.75 MOL2 C ATOM 7372 CB VAL D 181 −7.495 −31.978 −52.812 1.00 89.63MOL2 C ATOM 7373 CG1 VAL D 181 −8.201 −31.098 −51.794 1.00 92.37 MOL2 CATOM 7374 CG2 VAL D 181 −8.286 −33.244 −53.096 1.00 91.56 MOL2 C ATOM7375 C VAL D 181 −8.579 −30.763 −54.771 1.00 85.95 MOL2 C ATOM 7376 OVAL D 181 −9.027 −29.629 −54.586 1.00 82.58 MOL2 O ATOM 7377 N LEU D 182−9.188 −31.652 −55.542 1.00 89.33 MOL2 N ATOM 7378 CA LEU D 182 −10.438−31.319 −56.213 1.00 99.47 MOL2 C ATOM 7379 CB LEU D 182 −10.663 −32.212−57.438 1.00 103.48 MOL2 C ATOM 7380 CG LEU D 182 −9.979 −31.802 −58.7411.00 104.61 MOL2 C ATOM 7381 CD1 LEU D 182 −10.465 −30.434 −59.175 1.00101.89 MOL2 C ATOM 7382 CD2 LEU D 182 −8.479 −31.803 −58.533 1.00 111.01MOL2 C ATOM 7383 C LEU D 182 −11.675 −31.397 −55.337 1.00 105.64 MOL2 CATOM 7384 O LEU D 182 −12.117 −32.487 −54.957 1.00 106.49 MOL2 O ATOM7385 N GLN D 183 −12.244 −30.234 −55.038 1.00 111.66 MOL2 N ATOM 7386 CAGLN D 183 −13.452 −30.167 −54.228 1.00 117.55 MOL2 C ATOM 7387 CB GLN D183 −13.296 −29.107 −53.134 1.00 121.80 MOL2 C ATOM 7388 CG GLN D 183−14.429 −29.097 −52.125 1.00 127.48 MOL2 C ATOM 7389 CD GLN D 183−14.151 −28.176 −50.956 1.00 134.62 MOL2 C ATOM 7390 OE1 GLN D 183−13.935 −26.976 −51.136 1.00 137.26 MOL2 O ATOM 7391 NE2 GLN D 183−14.154 −28.735 −49.745 1.00 136.36 MOL2 N ATOM 7392 C GLN D 183 −14.642−29.828 −55.132 1.00 117.41 MOL2 C ATOM 7393 O GLN D 183 −15.074 −28.674−55.206 1.00 115.92 MOL2 O ATOM 7394 N SER D 184 −15.153 −30.848 −55.8211.00 117.21 MOL2 N ATOM 7395 CA SER D 184 −16.284 −30.695 −56.735 1.00116.49 MOL2 C ATOM 7396 CB SER D 184 −17.567 −30.374 −55.952 1.00 118.76MOL2 C ATOM 7397 OG SER D 184 −18.715 −30.434 −56.785 1.00 117.15 MOL2 OATOM 7398 C SER D 184 −16.001 −29.599 −57.766 1.00 114.43 MOL2 C ATOM7399 O SER D 184 −16.331 −28.423 −57.566 1.00 113.94 MOL2 O ATOM 7400 NASP D 185 −15.373 −30.003 −58.866 1.00 109.97 MOL2 N ATOM 7401 CA ASP D185 −15.027 −29.092 −59.953 1.00 106.35 MOL2 C ATOM 7402 CB ASP D 185−16.276 −28.756 −60.778 1.00 109.89 MOL2 C ATOM 7403 CG ASP D 185−16.703 −29.900 −61.688 1.00 114.04 MOL2 C ATOM 7404 OD1 ASP D 185−16.865 −31.031 −61.181 1.00 116.14 MOL2 O ATOM 7405 OD2 ASP D 185−16.879 −29.666 −62.908 1.00 111.22 MOL2 O ATOM 7406 C ASP D 185 −14.362−27.800 −59.491 1.00 101.63 MOL2 C ATOM 7407 O ASP D 185 −14.626 −26.734−60.036 1.00 101.10 MOL2 O ATOM 7408 N LEU D 186 −13.497 −27.894 −58.4891.00 97.57 MOL2 N ATOM 7409 CA LEU D 186 −12.804 −26.719 −57.982 1.0094.35 MOL2 C ATOM 7410 CB LEU D 186 −13.771 −25.834 −57.206 1.00 97.44MOL2 C ATOM 7411 CG LEU D 186 −13.994 −24.493 −57.894 1.00 98.32 MOL2 CATOM 7412 CD1 LEU D 186 −14.678 −23.525 −56.955 1.00 101.00 MOL2 C ATOM7413 CD2 LEU D 186 −12.656 −23.944 −58.309 1.00 96.21 MOL2 C ATOM 7414 CLEU D 186 −11.629 −27.089 −57.093 1.00 91.57 MOL2 C ATOM 7415 O LEU D186 −11.710 −28.030 −56.298 1.00 87.44 MOL2 O ATOM 7416 N TYR D 187−10.545 −26.329 −57.220 1.00 88.85 MOL2 N ATOM 7417 CA TYR D 187 −9.332−26.589 −56.452 1.00 89.15 MOL2 C ATOM 7418 CB TYR D 187 −8.094 −26.188−57.270 1.00 90.53 MOL2 C ATOM 7419 CG TYR D 187 −7.915 −26.965 −58.5601.00 97.55 MOL2 C ATOM 7420 CD1 TYR D 187 −7.866 −28.353 −58.568 1.0098.39 MOL2 C ATOM 7421 CE1 TYR D 187 −7.693 −29.055 −59.747 1.00 100.52MOL2 C ATOM 7422 CD2 TYR D 187 −7.786 −26.308 −59.772 1.00 103.60 MOL2 CATOM 7423 CE2 TYR D 187 −7.615 −27.007 −60.957 1.00 106.54 MOL2 C ATOM7424 CZ TYR D 187 −7.569 −28.378 −60.936 1.00 105.62 MOL2 C ATOM 7425 OHTYR D 187 −7.388 −29.067 −62.112 1.00 112.90 MOL2 O ATOM 7426 C TYR D187 −9.278 −25.893 −55.098 1.00 84.84 MOL2 C ATOM 7427 O TYR D 187−9.577 −24.710 −54.989 1.00 81.67 MOL2 O ATOM 7428 N THR D 188 −8.889−26.645 −54.072 1.00 83.80 MOL2 N ATOM 7429 CA THR D 188 −8.757 −26.120−52.716 1.00 82.80 MOL2 C ATOM 7430 CB THR D 188 −9.873 −26.626 −51.7901.00 86.64 MOL2 C ATOM 7431 OG1 THR D 188 −11.155 −26.274 −52.327 1.0092.13 MOL2 O ATOM 7432 CG2 THR D 188 −9.715 −26.012 −50.412 1.00 85.38MOL2 C ATOM 7433 C THR D 188 −7.432 −26.618 −52.149 1.00 80.21 MOL2 CATOM 7434 O THR D 188 −7.135 −27.816 −52.213 1.00 77.53 MOL2 O ATOM 7435N LEU D 189 −6.638 −25.703 −51.601 1.00 75.75 MOL2 N ATOM 7436 CA LEU D189 −5.344 −26.068 −51.036 1.00 71.42 MOL2 C ATOM 7437 CB LEU D 189−4.214 −25.786 −52.035 1.00 67.24 MOL2 C ATOM 7438 CG LEU D 189 −3.627−24.369 −52.109 1.00 63.69 MOL2 C ATOM 7439 CD1 LEU D 189 −2.736 −24.067−50.915 1.00 55.23 MOL2 C ATOM 7440 CD2 LEU D 189 −2.802 −24.260 −53.3711.00 68.68 MOL2 C ATOM 7441 C LEU D 189 −5.093 −25.264 −49.780 1.0069.79 MOL2 C ATOM 7442 O LEU D 189 −5.613 −24.168 −49.625 1.00 69.82MOL2 O ATOM 7443 N SER D 190 −4.268 −25.810 −48.899 1.00 70.07 MOL2 NATOM 7444 CA SER D 190 −3.926 −25.157 −47.643 1.00 66.76 MOL2 C ATOM7445 CB SER D 190 −4.446 −26.000 −46.478 1.00 67.94 MOL2 C ATOM 7446 OGSER D 190 −4.713 −27.343 −46.889 1.00 68.93 MOL2 O ATOM 7447 C SER D 190−2.418 −25.006 −47.541 1.00 65.99 MOL2 C ATOM 7448 O SER D 190 −1.666−25.640 −48.285 1.00 71.65 MOL2 O ATOM 7449 N SER D 191 −1.966 −24.168−46.625 1.00 61.24 MOL2 N ATOM 7450 CA SER D 191 −0.535 −23.979 −46.4631.00 67.78 MOL2 C ATOM 7451 CB SER D 191 −0.012 −22.949 −47.461 1.0064.40 MOL2 C ATOM 7452 OG SER D 191 1.351 −22.654 −47.200 1.00 64.07MOL2 O ATOM 7453 C SER D 191 −0.201 −23.527 −45.055 1.00 71.33 MOL2 CATOM 7454 O SER D 191 −0.644 −22.475 −44.614 1.00 72.50 MOL2 O ATOM 7455N SER D 192 0.592 −24.329 −44.357 1.00 74.03 MOL2 N ATOM 7456 CA SER D192 0.984 −24.018 −43.003 1.00 76.14 MOL2 C ATOM 7457 CB SER D 192 0.948−25.274 −42.154 1.00 78.39 MOL2 C ATOM 7458 OG SER D 192 1.638 −25.057−40.940 1.00 88.40 MOL2 O ATOM 7459 C SER D 192 2.378 −23.420 −42.9401.00 81.28 MOL2 C ATOM 7460 O SER D 192 3.200 −23.601 −43.848 1.00 81.58MOL2 O ATOM 7461 N VAL D 193 2.631 −22.716 −41.842 1.00 84.79 MOL2 NATOM 7462 CA VAL D 193 3.910 −22.069 −41.591 1.00 87.41 MOL2 C ATOM 7463CB VAL D 193 3.912 −20.611 −42.080 1.00 88.21 MOL2 C ATOM 7464 CG1 VAL D193 2.707 −19.880 −41.523 1.00 87.93 MOL2 C ATOM 7465 CG2 VAL D 1935.186 −19.919 −41.616 1.00 89.40 MOL2 C ATOM 7466 C VAL D 193 4.176−22.046 −40.088 1.00 87.14 MOL2 C ATOM 7467 O VAL D 193 3.368 −21.529−39.310 1.00 76.15 MOL2 O ATOM 7468 N THR D 194 5.305 −22.617 −39.6851.00 90.79 MOL2 N ATOM 7469 CA THR D 194 5.677 −22.636 −38.281 1.0094.76 MOL2 C ATOM 7470 CB THR D 194 6.478 −23.898 −37.926 1.00 102.47MOL2 C ATOM 7471 OG1 THR D 194 5.656 −25.054 −38.129 1.00 113.20 MOL2 OATOM 7472 CG2 THR D 194 6.933 −23.850 −36.469 1.00 104.71 MOL2 C ATOM7473 C THR D 194 6.540 −21.416 −38.016 1.00 93.94 MOL2 C ATOM 7474 O THRD 194 7.185 −20.889 −38.929 1.00 91.41 MOL2 O ATOM 7475 N VAL D 1956.560 −20.977 −36.763 1.00 94.99 MOL2 N ATOM 7476 CA VAL D 195 7.321−19.793 −36.391 1.00 96.41 MOL2 C ATOM 7477 CB VAL D 195 6.609 −18.518−36.904 1.00 99.17 MOL2 C ATOM 7478 CG1 VAL D 195 5.292 −18.323 −36.1481.00 93.52 MOL2 C ATOM 7479 CG2 VAL D 195 7.510 −17.300 −36.744 1.00102.91 MOL2 C ATOM 7480 C VAL D 195 7.448 −19.672 −34.879 1.00 97.60MOL2 C ATOM 7481 O VAL D 195 6.560 −20.091 −34.129 1.00 91.61 MOL2 OATOM 7482 N PRO D 196 8.561 −19.088 −34.410 1.00 101.67 MOL2 N ATOM 7483CD PRO D 196 9.788 −18.768 −35.166 1.00 103.43 MOL2 C ATOM 7484 CA PRO D196 8.774 −18.918 −32.970 1.00 105.47 MOL2 C ATOM 7485 CB PRO D 19610.160 −18.277 −32.900 1.00 106.21 MOL2 C ATOM 7486 CG PRO D 196 10.857−18.870 −34.100 1.00 107.54 MOL2 C ATOM 7487 C PRO D 196 7.687 −18.046−32.331 1.00 107.87 MOL2 C ATOM 7488 O PRO D 196 7.369 −16.965 −32.8311.00 107.05 MOL2 O ATOM 7489 N SER D 197 7.119 −18.533 −31.230 1.00111.25 MOL2 N ATOM 7490 CA SER D 197 6.068 −17.822 −30.501 1.00 114.37MOL2 C ATOM 7491 CB SER D 197 5.747 −18.555 −29.201 1.00 114.73 MOL2 CATOM 7492 OG SER D 197 4.997 −17.719 −28.336 1.00 117.18 MOL2 O ATOM7493 C SER D 197 6.426 −16.376 −30.160 1.00 115.72 MOL2 C ATOM 7494 OSER D 197 5.548 −15.517 −30.029 1.00 112.73 MOL2 O ATOM 7495 N SER D 1987.718 −16.117 −30.001 1.00 118.69 MOL2 N ATOM 7496 CA SER D 198 8.196−14.782 −29.668 1.00 119.63 MOL2 C ATOM 7497 CB SER D 198 9.660 −14.843−29.212 1.00 121.19 MOL2 C ATOM 7498 OG SER D 198 9.826 −15.760 −28.1431.00 123.39 MOL2 O ATOM 7499 C SER D 198 8.076 −13.823 −30.848 1.00119.24 MOL2 C ATOM 7500 O SER D 198 7.943 −12.619 −30.650 1.00 120.42MOL2 O ATOM 7501 N THR D 199 8.123 −14.355 −32.070 1.00 119.47 MOL2 NATOM 7502 CA THR D 199 8.033 −13.521 −33.269 1.00 119.49 MOL2 C ATOM7503 CB THR D 199 9.011 −14.010 −34.391 1.00 122.39 MOL2 C ATOM 7504 OG1THR D 199 8.584 −15.281 −34.899 1.00 120.61 MOL2 O ATOM 7505 CG2 THR D199 10.443 −14.133 −33.842 1.00 121.02 MOL2 C ATOM 7506 C THR D 1996.614 −13.423 −33.840 1.00 117.74 MOL2 C ATOM 7507 O THR D 199 6.429−13.194 −35.036 1.00 118.98 MOL2 O ATOM 7508 N TRP D 200 5.620 −13.593−32.971 1.00 115.27 MOL2 N ATOM 7509 CA TRP D 200 4.214 −13.498 −33.3581.00 115.29 MOL2 C ATOM 7510 CB TRP D 200 3.794 −14.690 −34.209 1.00112.54 MOL2 C ATOM 7511 CG TRP D 200 2.404 −14.547 −34.760 1.00 112.93MOL2 C ATOM 7512 CD2 TRP D 200 1.199 −15.076 −34.195 1.00 111.49 MOL2 CATOM 7513 CE2 TRP D 200 0.133 −14.685 −35.039 1.00 111.78 MOL2 C ATOM7514 CE3 TRP D 200 0.916 −15.840 −33.058 1.00 108.68 MOL2 C ATOM 7515CD1 TRP D 200 2.031 −13.872 −35.893 1.00 113.78 MOL2 C ATOM 7516 NE1 TRPD 200 0.667 −13.953 −36.067 1.00 111.33 MOL2 N ATOM 7517 CZ2 TRP D 200−1.192 −15.036 −34.780 1.00 111.08 MOL2 C ATOM 7518 CZ3 TRP D 200 −0.402−16.188 −32.803 1.00 110.71 MOL2 C ATOM 7519 CH2 TRP D 200 −1.438−15.787 −33.661 1.00 110.41 MOL2 C ATOM 7520 C TRP D 200 3.348 −13.462−32.101 1.00 118.97 MOL2 C ATOM 7521 O TRP D 200 3.570 −14.241 −31.1711.00 119.87 MOL2 O ATOM 7522 N PRO D 201 2.337 −12.570 −32.061 1.00121.33 MOL2 N ATOM 7523 CD PRO D 201 1.373 −12.527 −30.948 1.00 120.64MOL2 C ATOM 7524 CA PRO D 201 1.952 −11.607 −33.103 1.00 120.57 MOL2 CATOM 7525 CB PRO D 201 0.572 −11.119 −32.643 1.00 120.36 MOL2 C ATOM7526 CG PRO D 201 0.101 −12.181 −31.666 1.00 119.61 MOL2 C ATOM 7527 CPRO D 201 2.925 −10.440 −33.249 1.00 120.32 MOL2 C ATOM 7528 O PRO D 2012.673 −9.522 −34.031 1.00 118.99 MOL2 O ATOM 7529 N SER D 202 4.017−10.478 −32.482 1.00 121.83 MOL2 N ATOM 7530 CA SER D 202 5.046 −9.433−32.501 1.00 123.93 MOL2 C ATOM 7531 CB SER D 202 6.362 −9.976 −31.9271.00 120.25 MOL2 C ATOM 7532 OG SER D 202 7.385 −8.992 −31.938 1.00112.87 MOL2 O ATOM 7533 C SER D 202 5.283 −8.901 −33.913 1.00 127.62MOL2 C ATOM 7534 O SER D 202 4.783 −7.829 −34.275 1.00 129.11 MOL2 OATOM 7535 N GLU D 203 6.057 −9.640 −34.704 1.00 128.68 MOL2 N ATOM 7536CA GLU D 203 6.317 −9.244 −36.083 1.00 129.64 MOL2 C ATOM 7537 CB GLU D203 7.517 −10.005 −36.649 1.00 129.05 MOL2 C ATOM 7538 CG GLU D 2038.854 −9.554 −36.090 1.00 132.77 MOL2 C ATOM 7539 CD GLU D 203 10.022−10.330 −36.671 1.00 134.26 MOL2 C ATOM 7540 OE1 GLU D 203 10.046−10.528 −37.906 1.00 133.87 MOL2 O ATOM 7541 OE2 GLU D 203 10.917−10.732 −35.895 1.00 134.13 MOL2 O ATOM 7542 C GLU D 203 5.067 −9.578−36.886 1.00 131.08 MOL2 C ATOM 7543 O GLU D 203 4.026 −9.920 −36.3161.00 130.66 MOL2 O ATOM 7544 N THR D 204 5.156 −9.488 −38.207 1.00132.69 MOL2 N ATOM 7545 CA THR D 204 3.995 −9.792 −39.035 1.00 132.69MOL2 C ATOM 7546 CB THR D 204 3.553 −8.550 −39.863 1.00 134.41 MOL2 CATOM 7547 OG1 THR D 204 3.013 −7.557 −38.978 1.00 133.83 MOL2 O ATOM7548 CG2 THR D 204 2.495 −8.931 −40.899 1.00 132.04 MOL2 C ATOM 7549 CTHR D 204 4.204 −10.988 −39.964 1.00 130.56 MOL2 C ATOM 7550 O THR D 2045.324 −11.295 −40.391 1.00 130.19 MOL2 O ATOM 7551 N VAL D 205 3.104−11.668 −40.252 1.00 126.51 MOL2 N ATOM 7552 CA VAL D 205 3.125 −12.827−41.118 1.00 121.52 MOL2 C ATOM 7553 CB VAL D 205 3.030 −14.114 −40.2761.00 124.28 MOL2 C ATOM 7554 CG1 VAL D 205 4.268 −14.228 −39.378 1.00121.43 MOL2 C ATOM 7555 CG2 VAL D 205 1.757 −14.090 −39.427 1.00 122.84MOL2 C ATOM 7556 C VAL D 205 1.945 −12.713 −42.073 1.00 117.56 MOL2 CATOM 7557 O VAL D 205 0.802 −12.528 −41.649 1.00 115.24 MOL2 O ATOM 7558N THR D 206 2.219 −12.802 −43.367 1.00 112.79 MOL2 N ATOM 7559 CA THR D206 1.141 −12.691 −44.325 1.00 111.02 MOL2 C ATOM 7560 CB THR D 2061.084 −11.265 −44.917 1.00 114.63 MOL2 C ATOM 7561 OG1 THR D 206 0.963−10.313 −43.849 1.00 109.86 MOL2 O ATOM 7562 CG2 THR D 206 −0.111−11.114 −45.849 1.00 113.16 MOL2 C ATOM 7563 C THR D 206 1.221 −13.726−45.435 1.00 109.15 MOL2 C ATOM 7564 O THR D 206 2.305 −14.134 −45.8631.00 108.58 MOL2 O ATOM 7565 N CYS D 207 0.043 −14.156 −45.867 1.00104.94 MOL2 N ATOM 7566 CA CYS D 207 −0.124 −15.136 −46.924 1.00 103.36MOL2 C ATOM 7567 C CYS D 207 0.015 −14.415 −48.274 1.00 99.64 MOL2 CATOM 7568 O CYS D 207 −0.456 −13.294 −48.429 1.00 97.98 MOL2 O ATOM 7569CB CYS D 207 −1.517 −15.744 −46.782 1.00 105.15 MOL2 C ATOM 7570 SG CYSD 207 −1.843 −17.186 −47.834 1.00 123.02 MOL2 S ATOM 7571 N ASN D 2080.659 −15.044 −49.248 1.00 97.46 MOL2 N ATOM 7572 CA ASN D 208 0.831−14.404 −50.544 1.00 97.44 MOL2 C ATOM 7573 CB ASN D 208 2.301 −14.067−50.755 1.00 105.34 MOL2 C ATOM 7574 CG ASN D 208 2.936 −13.463 −49.5171.00 111.70 MOL2 C ATOM 7575 OD1 ASN D 208 2.369 −12.562 −48.890 1.00114.09 MOL2 O ATOM 7576 ND2 ASN D 208 4.120 −13.956 −49.157 1.00 111.26MOL2 N ATOM 7577 C ASN D 208 0.317 −15.293 −51.665 1.00 96.87 MOL2 CATOM 7578 O ASN D 208 1.089 −15.943 −52.381 1.00 99.33 MOL2 O ATOM 7579N VAL D 209 −1.004 −15.290 −51.803 1.00 90.22 MOL2 N ATOM 7580 CA VAL D209 −1.737 −16.073 −52.789 1.00 86.47 MOL2 C ATOM 7581 CB VAL D 209−3.190 −16.114 −52.361 1.00 79.39 MOL2 C ATOM 7582 CG1 VAL D 209 −3.849−17.395 −52.824 1.00 82.38 MOL2 C ATOM 7583 CG2 VAL D 209 −3.257 −15.935−50.859 1.00 73.42 MOL2 C ATOM 7584 C VAL D 209 −1.682 −15.443 −54.1791.00 88.23 MOL2 C ATOM 7585 O VAL D 209 −1.900 −14.252 −54.306 1.0088.62 MOL2 O ATOM 7586 N ALA D 210 −1.411 −16.227 −55.219 1.00 90.91MOL2 N ATOM 7587 CA ALA D 210 −1.374 −15.670 −56.567 1.00 93.72 MOL2 CATOM 7588 CB ALA D 210 0.059 −15.320 −56.958 1.00 96.40 MOL2 C ATOM 7589C ALA D 210 −1.993 −16.637 −57.575 1.00 99.43 MOL2 C ATOM 7590 O ALA D210 −1.615 −17.815 −57.642 1.00 106.33 MOL2 O ATOM 7591 N HIS D 211−2.943 −16.125 −58.357 1.00 98.35 MOL2 N ATOM 7592 CA HIS D 211 −3.667−16.907 −59.359 1.00 98.05 MOL2 C ATOM 7593 CB HIS D 211 −5.168 −16.816−59.043 1.00 87.59 MOL2 C ATOM 7594 CG HIS D 211 −6.012 −17.859 −59.7141.00 88.25 MOL2 C ATOM 7595 CD2 HIS D 211 −7.155 −18.469 −59.315 1.0087.50 MOL2 C ATOM 7596 ND1 HIS D 211 −5.730 −18.364 −60.965 1.00 91.95MOL2 N ATOM 7597 CE1 HIS D 211 −6.660 −19.242 −61.305 1.00 89.03 MOL2 CATOM 7598 NE2 HIS D 211 −7.537 −19.324 −60.321 1.00 83.10 MOL2 N ATOM7599 C HIS D 211 −3.403 −16.370 −60.779 1.00 104.17 MOL2 C ATOM 7600 OHIS D 211 −4.120 −15.495 −61.253 1.00 104.17 MOL2 O ATOM 7601 N PRO D212 −2.364 −16.876 −61.468 1.00 111.35 MOL2 N ATOM 7602 CD PRO D 212−1.230 −17.666 −60.952 1.00 117.49 MOL2 C ATOM 7603 CA PRO D 212 −2.080−16.395 −62.825 1.00 115.33 MOL2 C ATOM 7604 CB PRO D 212 −0.877 −17.242−63.242 1.00 120.03 MOL2 C ATOM 7605 CG PRO D 212 −0.114 −17.342 −61.9521.00 120.33 MOL2 C ATOM 7606 C PRO D 212 −3.267 −16.532 −63.777 1.00114.41 MOL2 C ATOM 7607 O PRO D 212 −3.687 −15.553 −64.393 1.00 113.77MOL2 O ATOM 7608 N ALA D 213 −3.809 −17.741 −63.885 1.00 113.04 MOL2 NATOM 7609 CA ALA D 213 −4.946 −18.001 −64.764 1.00 115.76 MOL2 C ATOM7610 CB ALA D 213 −5.530 −19.385 −64.440 1.00 115.79 MOL2 C ATOM 7611 CALA D 213 −6.041 −16.919 −64.664 1.00 115.30 MOL2 C ATOM 7612 O ALA D213 −6.790 −16.675 −65.622 1.00 117.39 MOL2 O ATOM 7613 N SER D 214−6.125 −16.272 −63.506 1.00 110.64 MOL2 N ATOM 7614 CA SER D 214 −7.123−15.234 −63.275 1.00 109.17 MOL2 C ATOM 7615 CB SER D 214 −8.030 −15.629−62.104 1.00 108.82 MOL2 C ATOM 7616 OG SER D 214 −8.768 −14.523 −61.6181.00 103.35 MOL2 O ATOM 7617 C SER D 214 −6.451 −13.906 −62.976 1.00111.11 MOL2 C ATOM 7618 O SER D 214 −7.110 −12.935 −62.605 1.00 110.06MOL2 O ATOM 7619 N SER D 215 −5.133 −13.875 −63.137 1.00 114.63 MOL2 NATOM 7620 CA SER D 215 −4.337 −12.673 −62.888 1.00 118.87 MOL2 C ATOM7621 CB SER D 215 −4.591 −11.626 −63.989 1.00 120.23 MOL2 C ATOM 7622 OGSER D 215 −3.463 −10.778 −64.168 1.00 116.07 MOL2 O ATOM 7623 C SER D215 −4.609 −12.067 −61.501 1.00 119.10 MOL2 C ATOM 7624 O SER D 215−4.390 −10.872 −61.277 1.00 119.46 MOL2 O ATOM 7625 N THR D 216 −5.091−12.892 −60.574 1.00 118.68 MOL2 N ATOM 7626 CA THR D 216 −5.354 −12.426−59.216 1.00 116.60 MOL2 C ATOM 7627 CB THR D 216 −6.481 −13.216 −58.5321.00 116.16 MOL2 C ATOM 7628 OG1 THR D 216 −7.666 −13.150 −59.335 1.00114.80 MOL2 O ATOM 7629 CG2 THR D 216 −6.767 −12.635 −57.145 1.00 110.81MOL2 C ATOM 7630 C THR D 216 −4.081 −12.600 −58.397 1.00 117.22 MOL2 CATOM 7631 O THR D 216 −3.238 −13.450 −58.708 1.00 119.85 MOL2 O ATOM7632 N LYS D 217 −3.943 −11.792 −57.354 1.00 114.88 MOL2 N ATOM 7633 CALYS D 217 −2.765 −11.846 −56.497 1.00 115.84 MOL2 C ATOM 7634 CB LYS D217 −1.620 −11.055 −57.141 1.00 118.61 MOL2 C ATOM 7635 CG LYS D 217−2.046 −9.699 −57.675 1.00 123.65 MOL2 C ATOM 7636 CD LYS D 217 −1.064−9.156 −58.700 1.00 124.05 MOL2 C ATOM 7637 CE LYS D 217 −1.624 −7.903−59.354 1.00 124.41 MOL2 C ATOM 7638 NZ LYS D 217 −3.007 −8.134 −59.8731.00 119.34 MOL2 N ATOM 7639 C LYS D 217 −3.108 −11.271 −55.128 1.00113.12 MOL2 C ATOM 7640 O LYS D 217 −2.713 −10.152 −54.795 1.00 108.06MOL2 O ATOM 7641 N VAL D 218 −3.840 −12.056 −54.337 1.00 112.90 MOL2 NATOM 7642 CA VAL D 218 −4.269 −11.637 −53.004 1.00 110.59 MOL2 C ATOM7643 CB VAL D 218 −5.656 −12.250 −52.645 1.00 107.90 MOL2 C ATOM 7644CG1 VAL D 218 −6.068 −11.833 −51.233 1.00 100.83 MOL2 C ATOM 7645 CG2VAL D 218 −6.700 −11.803 −53.664 1.00 103.53 MOL2 C ATOM 7646 C VAL D218 −3.293 −11.935 −51.863 1.00 112.13 MOL2 C ATOM 7647 O VAL D 218−2.633 −12.984 −51.833 1.00 113.22 MOL2 O ATOM 7648 N ASP D 219 −3.212−10.983 −50.934 1.00 112.43 MOL2 N ATOM 7649 CA ASP D 219 −2.355 −11.072−49.749 1.00 115.90 MOL2 C ATOM 7650 CB ASP D 219 −1.429 −9.846 −49.6181.00 124.25 MOL2 C ATOM 7651 CG ASP D 219 −0.305 −9.822 −50.643 1.00134.23 MOL2 C ATOM 7652 OD1 ASP D 219 0.555 −10.733 −50.624 1.00 137.14MOL2 O ATOM 7653 OD2 ASP D 219 −0.275 −8.874 −51.461 1.00 140.38 MOL2 OATOM 7654 C ASP D 219 −3.289 −11.031 −48.555 1.00 113.75 MOL2 C ATOM7655 O ASP D 219 −4.150 −10.161 −48.493 1.00 112.98 MOL2 O ATOM 7656 NLYS D 220 −3.125 −11.948 −47.608 1.00 114.33 MOL2 N ATOM 7657 CA LYS D220 −3.967 −11.942 −46.415 1.00 112.98 MOL2 C ATOM 7658 CB LYS D 220−4.909 −13.149 −46.405 1.00 113.88 MOL2 C ATOM 7659 CG LYS D 220 −6.128−13.003 −45.484 1.00 119.26 MOL2 C ATOM 7660 CD LYS D 220 −7.269 −12.211−46.153 1.00 124.16 MOL2 C ATOM 7661 CE LYS D 220 −8.589 −12.281 −45.3541.00 122.46 MOL2 C ATOM 7662 NZ LYS D 220 −9.769 −11.697 −46.077 1.00114.42 MOL2 N ATOM 7663 C LYS D 220 −3.064 −11.980 −45.186 1.00 113.40MOL2 C ATOM 7664 O LYS D 220 −2.262 −12.901 −45.016 1.00 115.05 MOL2 OATOM 7665 N LYS D 221 −3.175 −10.962 −44.342 1.00 114.57 MOL2 N ATOM7666 CA LYS D 221 −2.372 −10.896 −43.128 1.00 116.68 MOL2 C ATOM 7667 CBLYS D 221 −2.352 −9.463 −42.571 1.00 123.35 MOL2 C ATOM 7668 CG LYS D221 −1.714 −9.334 −41.178 1.00 128.89 MOL2 C ATOM 7669 CD LYS D 221−1.555 −7.875 −40.736 1.00 130.70 MOL2 C ATOM 7670 CE LYS D 221 −0.842−7.770 −39.386 1.00 131.81 MOL2 C ATOM 7671 NZ LYS D 221 −0.531 −6.361−39.001 1.00 131.94 MOL2 N ATOM 7672 C LYS D 221 −2.980 −11.836 −42.0951.00 114.90 MOL2 C ATOM 7673 O LYS D 221 −4.204 −11.909 −41.964 1.00111.76 MOL2 O ATOM 7674 N ILE D 222 −2.124 −12.559 −41.376 1.00 115.97MOL2 N ATOM 7675 CA ILE D 222 −2.582 −13.491 −40.345 1.00 118.06 MOL2 CATOM 7676 CB ILE D 222 −1.621 −14.705 −40.190 1.00 121.25 MOL2 C ATOM7677 CG2 ILE D 222 −1.821 −15.356 −38.823 1.00 122.94 MOL2 C ATOM 7678CG1 ILE D 222 −1.895 −15.743 −41.281 1.00 121.04 MOL2 C ATOM 7679 CD1ILE D 222 −3.209 −16.481 −41.092 1.00 118.43 MOL2 C ATOM 7680 C ILE D222 −2.680 −12.790 −38.998 1.00 116.34 MOL2 C ATOM 7681 O ILE D 222−1.666 −12.516 −38.352 1.00 114.18 MOL2 O ATOM 7682 N VAL D 223 −3.908−12.505 −38.578 1.00 117.55 MOL2 N ATOM 7683 CA VAL D 223 −4.140 −11.830−37.310 1.00 120.95 MOL2 C ATOM 7684 CB VAL D 223 −4.933 −10.521 −37.5121.00 128.80 MOL2 C ATOM 7685 CG1 VAL D 223 −4.119 −9.537 −38.358 1.00130.83 MOL2 C ATOM 7686 CG2 VAL D 223 −6.279 −10.830 −38.173 1.00 132.56MOL2 C ATOM 7687 C VAL D 223 −4.918 −12.716 −36.349 1.00 118.69 MOL2 CATOM 7688 O VAL D 223 −5.879 −13.385 −36.741 1.00 115.68 MOL2 O ATOM7689 N PRO D 224 −4.515 −12.709 −35.068 1.00 118.99 MOL2 N ATOM 7690 CDPRO D 224 −3.433 −11.836 −34.576 1.00 119.65 MOL2 C ATOM 7691 CA PRO D224 −5.100 −13.475 −33.963 1.00 121.19 MOL2 C ATOM 7692 CB PRO D 224−4.166 −13.156 −32.792 1.00 120.92 MOL2 C ATOM 7693 CG PRO D 224 −3.721−11.767 −33.091 1.00 119.21 MOL2 C ATOM 7694 C PRO D 224 −6.550 −13.137−33.636 1.00 124.07 MOL2 C ATOM 7695 O PRO D 224 −7.150 −12.242 −34.2391.00 122.61 MOL2 O ATOM 7696 N ARG D 225 −7.095 −13.875 −32.671 1.00130.19 MOL2 N ATOM 7697 CA ARG D 225 −8.465 −13.698 −32.196 1.00 139.13MOL2 C ATOM 7698 CB ARG D 225 −9.151 −15.061 −32.026 1.00 137.87 MOL2 CATOM 7699 CG ARG D 225 −9.317 −15.887 −33.291 1.00 134.46 MOL2 C ATOM7700 CD ARG D 225 −10.057 −17.175 −32.961 1.00 134.51 MOL2 C ATOM 7701NE ARG D 225 −10.826 −17.679 −34.095 1.00 138.46 MOL2 N ATOM 7702 CZ ARGD 225 −11.841 −18.534 −33.989 1.00 139.86 MOL2 C ATOM 7703 NH1 ARG D 225−12.488 −18.939 −35.077 1.00 136.69 MOL2 N ATOM 7704 NH2 ARG D 225−12.215 −18.981 −32.793 1.00 142.11 MOL2 N ATOM 7705 C ARG D 225 −8.404−13.006 −30.828 1.00 145.80 MOL2 C ATOM 7706 O ARG D 225 −7.409 −13.143−30.107 1.00 146.28 MOL2 O ATOM 7707 N ASP D 226 −9.469 −12.290 −30.4661.00 152.47 MOL2 N ATOM 7708 CA ASP D 226 −9.529 −11.571 −29.188 1.00158.98 MOL2 C ATOM 7709 CB ASP D 226 −10.587 −10.454 −29.262 1.00 161.05MOL2 C ATOM 7710 CG ASP D 226 −10.243 −9.372 −30.288 1.00 161.69 MOL2 CATOM 7711 OD1 ASP D 226 −9.174 −8.733 −30.159 1.00 160.52 MOL2 O ATOM7712 OD2 ASP D 226 −11.050 −9.157 −31.220 1.00 160.76 MOL2 O ATOM 7713 CASP D 226 −9.814 −12.459 −27.963 1.00 161.54 MOL2 C ATOM 7714 O ASP D226 −8.927 −13.160 −27.469 1.00 159.48 MOL2 O ATOM 7715 N CYS D 227−11.055 −12.410 −27.475 1.00 166.54 MOL2 N ATOM 7716 CA CYS D 227−11.473 −13.187 −26.301 1.00 171.26 MOL2 C ATOM 7717 CB CYS D 227−12.784 −12.616 −25.715 1.00 173.22 MOL2 C ATOM 7718 SG CYS D 227−14.355 −13.267 −26.401 1.00 176.60 MOL2 S ATOM 7719 C CYS D 227 −11.657−14.679 −26.608 1.00 172.68 MOL2 C ATOM 7720 O CYS D 227 −11.457 −15.078−27.777 1.00 172.11 MOL2 O ATOM 7721 OXT CYS D 227 −11.994 −15.439−25.669 1.00 173.46 MOL2 O ATOM 7722 CB GLU E 15 51.662 −25.120 −64.5991.00 165.76 MOL2 C ATOM 7723 CG GLU E 15 50.846 −24.875 −63.330 1.00164.41 MOL2 C ATOM 7724 CD GLU E 15 51.155 −25.879 −62.227 1.00 162.45MOL2 C ATOM 7725 OE1 GLU E 15 52.286 −25.854 −61.695 1.00 160.73 MOL2 OATOM 7726 OE2 GLU E 15 50.268 −26.697 −61.897 1.00 158.74 MOL2 O ATOM7727 C GLU E 15 51.943 −22.740 −65.385 1.00 163.50 MOL2 C ATOM 7728 OGLU E 15 51.249 −21.928 −64.759 1.00 160.46 MOL2 O ATOM 7729 N GLU E 1552.006 −24.644 −67.006 1.00 163.87 MOL2 N ATOM 7730 CA GLU E 15 51.393−24.131 −65.743 1.00 164.49 MOL2 C ATOM 7731 N SER E 16 53.188 −22.472−65.782 1.00 162.49 MOL2 N ATOM 7732 CA SER E 16 53.814 −21.180 −65.5141.00 160.48 MOL2 C ATOM 7733 CB SER E 16 54.848 −21.321 −64.390 1.00155.37 MOL2 C ATOM 7734 OG SER E 16 55.761 −22.369 −64.652 1.00 146.87MOL2 O ATOM 7735 C SER E 16 54.465 −20.572 −66.762 1.00 162.64 MOL2 CATOM 7736 O SER E 16 54.681 −19.361 −66.835 1.00 162.08 MOL2 O ATOM 7737N CYS E 17 54.764 −21.418 −67.743 1.00 165.84 MOL2 N ATOM 7738 CA CYS E17 55.385 −20.984 −68.994 1.00 169.05 MOL2 C ATOM 7739 CB CYS E 1755.466 −22.178 −69.959 1.00 170.47 MOL2 C ATOM 7740 SG CYS E 17 54.361−23.581 −69.559 1.00 170.59 MOL2 S ATOM 7741 C CYS E 17 54.644 −19.813−69.659 1.00 169.88 MOL2 C ATOM 7742 O CYS E 17 53.450 −19.617 −69.4261.00 168.81 MOL2 O ATOM 7743 N PRO E 18 55.356 −19.011 −70.480 1.00171.24 MOL2 N ATOM 7744 CD PRO E 18 56.821 −19.037 −70.640 1.00 172.22MOL2 C ATOM 7745 CA PRO E 18 54.787 −17.857 −71.191 1.00 171.55 MOL2 CATOM 7746 CB PRO E 18 55.972 −17.326 −71.991 1.00 170.97 MOL2 C ATOM7747 CG PRO E 18 57.121 −17.617 −71.089 1.00 172.24 MOL2 C ATOM 7748 CPRO E 18 53.626 −18.273 −72.086 1.00 172.56 MOL2 C ATOM 7749 O PRO E 1853.825 −18.782 −73.193 1.00 172.11 MOL2 O ATOM 7750 N PRO E 19 52.393−18.047 −71.612 1.00 174.22 MOL2 N ATOM 7751 CD PRO E 19 52.130 −17.333−70.347 1.00 174.01 MOL2 C ATOM 7752 CA PRO E 19 51.134 −18.369 −72.2901.00 176.12 MOL2 C ATOM 7753 CB PRO E 19 50.105 −17.576 −71.482 1.00175.32 MOL2 C ATOM 7754 CG PRO E 19 50.666 −17.640 −70.096 1.00 173.61MOL2 C ATOM 7755 C PRO E 19 51.048 −18.080 −73.795 1.00 177.67 MOL2 CATOM 7756 O PRO E 19 51.959 −17.505 −74.403 1.00 176.41 MOL2 O ATOM 7757N VAL E 20 49.928 −18.506 −74.377 1.00 178.75 MOL2 N ATOM 7758 CA VAL E20 49.634 −18.333 −75.795 1.00 178.94 MOL2 C ATOM 7759 CB VAL E 2049.264 −19.683 −76.448 1.00 177.15 MOL2 C ATOM 7760 CG1 VAL E 20 50.459−20.621 −76.422 1.00 175.05 MOL2 C ATOM 7761 CG2 VAL E 20 48.081 −20.303−75.712 1.00 174.69 MOL2 C ATOM 7762 C VAL E 20 48.434 −17.392 −75.9151.00 180.62 MOL2 C ATOM 7763 O VAL E 20 47.744 −17.133 −74.926 1.00179.57 MOL2 O ATOM 7764 N PRO E 21 48.164 −16.877 −77.129 1.00 182.24MOL2 N ATOM 7765 CD PRO E 21 48.847 −17.196 −78.399 1.00 182.86 MOL2 CATOM 7766 CA PRO E 21 47.038 −15.963 −77.362 1.00 182.34 MOL2 C ATOM7767 CB PRO E 21 46.858 −16.030 −78.878 1.00 182.71 MOL2 C ATOM 7768 CGPRO E 21 48.270 −16.164 −79.359 1.00 182.86 MOL2 C ATOM 7769 C PRO E 2145.758 −16.336 −76.602 1.00 181.69 MOL2 C ATOM 7770 O PRO E 21 45.037−15.459 −76.114 1.00 181.15 MOL2 O ATOM 7771 N GLY E 22 45.476 −17.634−76.507 1.00 180.67 MOL2 N ATOM 7772 CA GLY E 22 44.287 −18.075 −75.7971.00 179.02 MOL2 C ATOM 7773 C GLY E 22 43.492 −19.189 −76.460 1.00176.89 MOL2 C ATOM 7774 O GLY E 22 43.083 −19.075 −77.618 1.00 176.38MOL2 O ATOM 7775 N GLY E 23 43.271 −20.269 −75.715 1.00 174.14 MOL2 NATOM 7776 CA GLY E 23 42.512 −21.395 −76.231 1.00 169.82 MOL2 C ATOM7777 C GLY E 23 43.125 −22.093 −77.431 1.00 166.75 MOL2 C ATOM 7778 OGLY E 23 42.496 −22.190 −78.484 1.00 167.74 MOL2 O ATOM 7779 N SER E 2444.352 −22.580 −77.276 1.00 162.62 MOL2 N ATOM 7780 CA SER E 24 45.051−23.287 −78.349 1.00 157.52 MOL2 C ATOM 7781 CB SER E 24 45.517 −22.311−79.438 1.00 156.73 MOL2 C ATOM 7782 OG SER E 24 44.455 −21.948 −80.3061.00 153.24 MOL2 O ATOM 7783 C SER E 24 46.252 −24.052 −77.802 1.00154.76 MOL2 C ATOM 7784 O SER E 24 46.885 −23.619 −76.839 1.00 156.52MOL2 O ATOM 7785 N MET E 25 46.555 −25.189 −78.425 1.00 149.50 MOL2 NATOM 7786 CA MET E 25 47.674 −26.038 −78.017 1.00 143.87 MOL2 C ATOM7787 CB MET E 25 47.157 −27.224 −77.198 1.00 144.07 MOL2 C ATOM 7788 CGMET E 25 46.428 −26.844 −75.912 1.00 147.06 MOL2 C ATOM 7789 SD MET E 2547.499 −26.726 −74.455 1.00 149.22 MOL2 S ATOM 7790 CE MET E 25 46.918−28.149 −73.463 1.00 146.97 MOL2 C ATOM 7791 C MET E 25 48.413 −26.562−79.248 1.00 140.29 MOL2 C ATOM 7792 O MET E 25 47.906 −26.485 −80.3671.00 138.37 MOL2 O ATOM 7793 N LYS E 26 49.607 −27.106 −79.037 1.00137.30 MOL2 N ATOM 7794 CA LYS E 26 50.398 −27.635 −80.142 1.00 134.87MOL2 C ATOM 7795 CB LYS E 26 51.885 −27.670 −79.765 1.00 139.86 MOL2 CATOM 7796 CG LYS E 26 52.739 −26.527 −80.345 1.00 144.54 MOL2 C ATOM7797 CD LYS E 26 52.323 −25.143 −79.831 1.00 148.51 MOL2 C ATOM 7798 CELYS E 26 51.285 −24.461 −80.732 1.00 150.28 MOL2 C ATOM 7799 NZ LYS E 2651.826 −24.051 −82.065 1.00 147.62 MOL2 N ATOM 7800 C LYS E 26 49.954−29.022 −80.606 1.00 129.54 MOL2 C ATOM 7801 O LYS E 26 50.030 −29.998−79.861 1.00 126.97 MOL2 O ATOM 7802 N LEU E 27 49.483 −29.097 −81.8461.00 124.85 MOL2 N ATOM 7803 CA LEU E 27 49.060 −30.365 −82.423 1.00120.35 MOL2 C ATOM 7804 CB LEU E 27 47.589 −30.328 −82.829 1.00 116.49MOL2 C ATOM 7805 CG LEU E 27 47.133 −31.589 −83.575 1.00 112.14 MOL2 CATOM 7806 CD1 LEU E 27 47.115 −32.755 −82.613 1.00 110.03 MOL2 C ATOM7807 CD2 LEU E 27 45.759 −31.385 −84.188 1.00 106.67 MOL2 C ATOM 7808 CLEU E 27 49.906 −30.661 −83.652 1.00 121.58 MOL2 C ATOM 7809 O LEU E 2749.665 −30.120 −84.729 1.00 120.63 MOL2 O ATOM 7810 N ASP E 28 50.902−31.521 −83.483 1.00 124.70 MOL2 N ATOM 7811 CA ASP E 28 51.780 −31.887−84.584 1.00 128.71 MOL2 C ATOM 7812 CB ASP E 28 52.836 −32.900 −84.1301.00 133.78 MOL2 C ATOM 7813 CG ASP E 28 53.636 −32.421 −82.934 1.00140.19 MOL2 C ATOM 7814 OD1 ASP E 28 54.226 −31.320 −83.006 1.00 144.46MOL2 O ATOM 7815 OD2 ASP E 28 53.681 −33.154 −81.920 1.00 141.62 MOL2 OATOM 7816 C ASP E 28 50.985 −32.497 −85.726 1.00 130.05 MOL2 C ATOM 7817O ASP E 28 50.007 −33.216 −85.516 1.00 128.49 MOL2 O ATOM 7818 N ILE E29 51.417 −32.202 −86.942 1.00 133.66 MOL2 N ATOM 7819 CA ILE E 2950.776 −32.729 −88.133 1.00 135.62 MOL2 C ATOM 7820 CB ILE E 29 51.201−31.912 −89.369 1.00 138.97 MOL2 C ATOM 7821 CG2 ILE E 29 50.452 −30.583−89.395 1.00 136.61 MOL2 C ATOM 7822 CG1 ILE E 29 52.719 −31.683 −89.3381.00 139.95 MOL2 C ATOM 7823 CD1 ILE E 29 53.226 −30.690 −90.368 1.00139.38 MOL2 C ATOM 7824 C ILE E 29 51.207 −34.186 −88.286 1.00 134.73MOL2 C ATOM 7825 O ILE E 29 52.165 −34.626 −87.644 1.00 136.22 MOL2 OATOM 7826 N GLY E 30 50.499 −34.934 −89.124 1.00 131.08 MOL2 N ATOM 7827CA GLY E 30 50.846 −36.329 −89.314 1.00 127.61 MOL2 C ATOM 7828 C GLY E30 50.227 −37.232 −88.261 1.00 124.18 MOL2 C ATOM 7829 O GLY E 30 50.530−37.129 −87.066 1.00 121.16 MOL2 O ATOM 7830 N ILE E 31 49.349 −38.123−88.710 1.00 120.51 MOL2 N ATOM 7831 CA ILE E 31 48.679 −39.055 −87.8161.00 112.52 MOL2 C ATOM 7832 CB ILE E 31 47.232 −39.338 −88.257 1.00108.57 MOL2 C ATOM 7833 CG2 ILE E 31 46.681 −40.502 −87.476 1.00 106.81MOL2 C ATOM 7834 CG1 ILE E 31 46.355 −38.106 −88.042 1.00 109.85 MOL2 CATOM 7835 CD1 ILE E 31 46.629 −36.976 −89.010 1.00 115.80 MOL2 C ATOM7836 C ILE E 31 49.420 −40.376 −87.778 1.00 110.19 MOL2 C ATOM 7837 OILE E 31 49.772 −40.932 −88.815 1.00 113.42 MOL2 O ATOM 7838 N ILE E 3249.654 −40.873 −86.574 1.00 108.04 MOL2 N ATOM 7839 CA ILE E 32 50.344−42.140 −86.374 1.00 107.81 MOL2 C ATOM 7840 CB ILE E 32 50.661 −42.340−84.890 1.00 98.99 MOL2 C ATOM 7841 CG2 ILE E 32 50.986 −43.783 −84.6191.00 96.09 MOL2 C ATOM 7842 CG1 ILE E 32 51.796 −41.407 −84.480 1.0095.71 MOL2 C ATOM 7843 CD1 ILE E 32 52.151 −41.478 −83.021 1.00 98.06MOL2 C ATOM 7844 C ILE E 32 49.505 −43.326 −86.851 1.00 112.29 MOL2 CATOM 7845 O ILE E 32 48.386 −43.512 −86.391 1.00 115.51 MOL2 O ATOM 7846N ASN E 33 50.052 −44.121 −87.766 1.00 117.06 MOL2 N ATOM 7847 CA ASN E33 49.363 −45.295 −88.304 1.00 122.38 MOL2 C ATOM 7848 CB ASN E 3348.759 −46.133 −87.177 1.00 118.52 MOL2 C ATOM 7849 CG ASN E 33 49.795−46.927 −86.418 1.00 119.07 MOL2 C ATOM 7850 OD1 ASN E 33 50.413 −47.841−86.961 1.00 119.36 MOL2 O ATOM 7851 ND2 ASN E 33 49.993 −46.584 −85.1501.00 121.47 MOL2 N ATOM 7852 C ASN E 33 48.262 −44.968 −89.299 1.00128.50 MOL2 C ATOM 7853 O ASN E 33 47.304 −45.727 −89.428 1.00 132.14MOL2 O ATOM 7854 N GLU E 34 48.402 −43.855 −90.013 1.00 134.94 MOL2 NATOM 7855 CA GLU E 34 47.396 −43.438 −90.991 1.00 141.44 MOL2 C ATOM7856 CB GLU E 34 47.833 −42.128 −91.670 1.00 139.56 MOL2 C ATOM 7857 CGGLU E 34 46.690 −41.309 −92.283 1.00 136.65 MOL2 C ATOM 7858 CD GLU E 3447.143 −39.952 −92.820 1.00 134.53 MOL2 C ATOM 7859 OE1 GLU E 34 47.775−39.183 −92.060 1.00 129.99 MOL2 O ATOM 7860 OE2 GLU E 34 46.858 −39.652−94.003 1.00 133.64 MOL2 O ATOM 7861 C GLU E 34 47.168 −44.525 −92.0421.00 146.34 MOL2 C ATOM 7862 O GLU E 34 46.245 −44.440 −92.852 1.00146.31 MOL2 O ATOM 7863 N ASN E 35 48.008 −45.554 −92.003 1.00 153.14MOL2 N ATOM 7864 CA ASN E 35 47.939 −46.663 −92.947 1.00 159.76 MOL2 CATOM 7865 CB ASN E 35 49.347 −47.222 −93.180 1.00 164.22 MOL2 C ATOM7866 CG ASN E 35 50.070 −47.551 −91.880 1.00 167.00 MOL2 C ATOM 7867 OD1ASN E 35 50.435 −46.656 −91.116 1.00 168.89 MOL2 O ATOM 7868 ND2 ASN E35 50.275 −48.841 −91.623 1.00 167.83 MOL2 N ATOM 7869 C ASN E 35 47.005−47.811 −92.551 1.00 160.59 MOL2 C ATOM 7870 O ASN E 35 46.604 −48.605−93.404 1.00 163.30 MOL2 O ATOM 7871 N GLN E 36 46.666 −47.916 −91.2711.00 159.41 MOL2 N ATOM 7872 CA GLN E 36 45.784 −48.993 −90.842 1.00159.83 MOL2 C ATOM 7873 CB GLN E 36 45.512 −48.899 −89.339 1.00 152.95MOL2 C ATOM 7874 CG GLN E 36 46.776 −49.016 −88.494 1.00 141.32 MOL2 CATOM 7875 CD GLN E 36 46.548 −49.745 −87.184 1.00 132.84 MOL2 C ATOM7876 OE1 GLN E 36 46.144 −50.905 −87.172 1.00 127.00 MOL2 O ATOM 7877NE2 GLN E 36 46.814 −49.070 −86.075 1.00 129.59 MOL2 N ATOM 7878 C GLN E36 44.485 −48.951 −91.642 1.00 165.05 MOL2 C ATOM 7879 O GLN E 36 43.716−47.989 −91.557 1.00 165.30 MOL2 O ATOM 7880 N ARG E 37 44.259 −50.004−92.428 1.00 169.69 MOL2 N ATOM 7881 CA ARG E 37 43.080 −50.105 −93.2871.00 173.53 MOL2 C ATOM 7882 CB ARG E 37 43.319 −51.146 −94.398 1.00172.93 MOL2 C ATOM 7883 CG ARG E 37 42.164 −51.309 −95.410 1.00 171.95MOL2 C ATOM 7884 CD ARG E 37 42.470 −52.411 −96.442 1.00 169.85 MOL2 CATOM 7885 NE ARG E 37 41.321 −52.815 −97.266 1.00 167.65 MOL2 N ATOM7886 CZ ARG E 37 40.895 −52.178 −98.357 1.00 165.79 MOL2 C ATOM 7887 NH1ARG E 37 41.516 −51.086 −98.778 1.00 166.96 MOL2 N ATOM 7888 NH2 ARG E37 39.852 −52.643 −99.041 1.00 159.83 MOL2 N ATOM 7889 C ARG E 37 41.790−50.436 −92.542 1.00 175.83 MOL2 C ATOM 7890 O ARG E 37 41.790 −51.190−91.566 1.00 174.15 MOL2 O ATOM 7891 N VAL E 38 40.695 −49.856 −93.0311.00 179.53 MOL2 N ATOM 7892 CA VAL E 38 39.364 −50.045 −92.462 1.00181.52 MOL2 C ATOM 7893 CB VAL E 38 38.281 −49.336 −93.332 1.00 182.97MOL2 C ATOM 7894 CG1 VAL E 38 36.956 −49.274 −92.577 1.00 183.06 MOL2 CATOM 7895 CG2 VAL E 38 38.751 −47.934 −93.725 1.00 182.19 MOL2 C ATOM7896 C VAL E 38 39.023 −51.533 −92.366 1.00 180.77 MOL2 C ATOM 7897 OVAL E 38 38.405 −52.099 −93.270 1.00 180.76 MOL2 O ATOM 7898 N SER E 3939.432 −52.164 −91.268 1.00 178.92 MOL2 N ATOM 7899 CA SER E 39 39.163−53.582 −91.066 1.00 177.53 MOL2 C ATOM 7900 CB SER E 39 39.867 −54.092−89.809 1.00 178.45 MOL2 C ATOM 7901 OG SER E 39 39.526 −55.447 −89.5611.00 177.85 MOL2 O ATOM 7902 C SER E 39 37.667 −53.835 −90.937 1.00176.25 MOL2 C ATOM 7903 O SER E 39 37.117 −53.823 −89.834 1.00 175.39MOL2 O ATOM 7904 N MET E 40 37.020 −54.070 −92.074 1.00 174.10 MOL2 NATOM 7905 CA MET E 40 35.584 −54.322 −92.117 1.00 168.67 MOL2 C ATOM7906 CB MET E 40 34.868 −53.068 −92.635 1.00 167.61 MOL2 C ATOM 7907 CGMET E 40 33.356 −53.067 −92.501 1.00 164.71 MOL2 C ATOM 7908 SD MET E 4032.661 −51.506 −93.099 1.00 158.86 MOL2 S ATOM 7909 CE MET E 40 33.038−50.424 −91.726 1.00 156.43 MOL2 C ATOM 7910 C MET E 40 35.309 −55.508−93.044 1.00 164.36 MOL2 C ATOM 7911 O MET E 40 34.901 −55.318 −94.1931.00 163.95 MOL2 O ATOM 7912 N SER E 41 35.556 −56.722 −92.554 1.00156.89 MOL2 N ATOM 7913 CA SER E 41 35.316 −57.914 −93.356 1.00 150.06MOL2 C ATOM 7914 CB SER E 41 35.521 −59.183 −92.528 1.00 150.16 MOL2 CATOM 7915 OG SER E 41 35.292 −60.342 −93.315 1.00 149.67 MOL2 O ATOM7916 C SER E 41 33.875 −57.821 −93.826 1.00 146.92 MOL2 C ATOM 7917 OSER E 41 32.944 −58.146 −93.092 1.00 147.48 MOL2 O ATOM 7918 N ARG E 4233.699 −57.359 −95.057 1.00 142.70 MOL2 N ATOM 7919 CA ARG E 42 32.371−57.178 −95.620 1.00 136.00 MOL2 C ATOM 7920 CB ARG E 42 32.482 −56.781−97.096 1.00 134.72 MOL2 C ATOM 7921 CG ARG E 42 33.169 −55.432 −97.2971.00 136.79 MOL2 C ATOM 7922 CD ARG E 42 33.201 −55.032 −98.763 1.00143.02 MOL2 C ATOM 7923 NE ARG E 42 33.765 −53.698 −98.969 1.00 146.55MOL2 N ATOM 7924 CZ ARG E 42 33.867 −53.103 −100.157 1.00 148.75 MOL2 CATOM 7925 NH1 ARG E 42 33.442 −53.721 −101.253 1.00 148.61 MOL2 N ATOM7926 NH2 ARG E 42 34.393 −51.887 −100.251 1.00 147.55 MOL2 N ATOM 7927 CARG E 42 31.409 −58.351 −95.450 1.00 130.16 MOL2 C ATOM 7928 O ARG E 4231.809 −59.513 −95.312 1.00 126.81 MOL2 O ATOM 7929 N ASN E 43 30.128−57.995 −95.431 1.00 124.14 MOL2 N ATOM 7930 CA ASN E 43 29.007 −58.916−95.297 1.00 115.62 MOL2 C ATOM 7931 CB ASN E 43 28.922 −59.817 −96.5341.00 119.35 MOL2 C ATOM 7932 CG ASN E 43 28.530 −59.042 −97.791 1.00122.58 MOL2 C ATOM 7933 OD1 ASN E 43 29.253 −58.141 −98.232 1.00 121.38MOL2 O ATOM 7934 ND2 ASN E 43 27.379 −59.388 −98.368 1.00 121.45 MOL2 NATOM 7935 C ASN E 43 28.878 −59.759 −94.029 1.00 106.29 MOL2 C ATOM 7936O ASN E 43 27.872 −60.455 −93.867 1.00 105.11 MOL2 O ATOM 7937 N ILE E44 29.851 −59.705 −93.120 1.00 92.85 MOL2 N ATOM 7938 CA ILE E 44 29.698−60.503 −91.909 1.00 80.61 MOL2 C ATOM 7939 CB ILE E 44 30.965 −60.545−91.049 1.00 73.95 MOL2 C ATOM 7940 CG2 ILE E 44 32.186 −60.582 −91.9421.00 83.11 MOL2 C ATOM 7941 CG1 ILE E 44 31.001 −59.360 −90.100 1.0061.18 MOL2 C ATOM 7942 CD1 ILE E 44 32.077 −59.492 −89.073 1.00 44.22MOL2 C ATOM 7943 C ILE E 44 28.576 −59.893 −91.099 1.00 75.70 MOL2 CATOM 7944 O ILE E 44 28.028 −60.518 −90.203 1.00 72.48 MOL2 O ATOM 7945N GLU E 45 28.233 −58.658 −91.431 1.00 73.35 MOL2 N ATOM 7946 CA GLU E45 27.153 −57.979 −90.750 1.00 72.10 MOL2 C ATOM 7947 CB GLU E 45 27.115−56.515 −91.191 1.00 71.82 MOL2 C ATOM 7948 CG GLU E 45 27.688 −56.282−92.573 1.00 72.25 MOL2 C ATOM 7949 CD GLU E 45 26.624 −56.339 −93.6391.00 78.46 MOL2 C ATOM 7950 OE1 GLU E 45 25.671 −57.128 −93.465 1.0084.47 MOL2 O ATOM 7951 OE2 GLU E 45 26.738 −55.607 −94.650 1.00 80.02MOL2 O ATOM 7952 C GLU E 45 25.858 −58.706 −91.088 1.00 72.10 MOL2 CATOM 7953 O GLU E 45 24.812 −58.465 −90.485 1.00 76.04 MOL2 O ATOM 7954N SER E 46 25.938 −59.624 −92.042 1.00 70.43 MOL2 N ATOM 7955 CA SER E46 24.763 −60.368 −92.441 1.00 70.92 MOL2 C ATOM 7956 CB SER E 46 24.453−60.116 −93.901 1.00 70.73 MOL2 C ATOM 7957 OG SER E 46 23.185 −60.661−94.198 1.00 83.10 MOL2 O ATOM 7958 C SER E 46 24.912 −61.859 −92.2151.00 70.22 MOL2 C ATOM 7959 O SER E 46 23.942 −62.609 −92.324 1.00 73.24MOL2 O ATOM 7960 N ARG E 47 26.129 −62.288 −91.908 1.00 67.88 MOL2 NATOM 7961 CA ARG E 47 26.399 −63.700 −91.651 1.00 65.71 MOL2 C ATOM 7962CB ARG E 47 27.822 −64.065 −92.117 1.00 67.97 MOL2 C ATOM 7963 CG ARG E47 28.027 −64.302 −93.629 1.00 66.34 MOL2 C ATOM 7964 CD ARG E 47 29.511−64.178 −94.016 1.00 61.33 MOL2 C ATOM 7965 NE ARG E 47 30.383 −64.894−93.081 1.00 71.70 MOL2 N ATOM 7966 CZ ARG E 47 31.634 −64.538 −92.7691.00 75.39 MOL2 C ATOM 7967 NH1 ARG E 47 32.195 −63.462 −93.314 1.0070.80 MOL2 N ATOM 7968 NH2 ARG E 47 32.326 −65.254 −91.888 1.00 77.23MOL2 N ATOM 7969 C ARG E 47 26.257 −63.997 −90.148 1.00 65.68 MOL2 CATOM 7970 O ARG E 47 26.263 −65.151 −89.736 1.00 68.35 MOL2 O ATOM 7971N SER E 48 26.129 −62.957 −89.331 1.00 60.86 MOL2 N ATOM 7972 CA SER E48 26.007 −63.144 −87.891 1.00 57.17 MOL2 C ATOM 7973 CB SER E 48 26.350−61.844 −87.162 1.00 56.06 MOL2 C ATOM 7974 OG SER E 48 26.119 −61.967−85.767 1.00 56.81 MOL2 O ATOM 7975 C SER E 48 24.615 −63.601 −87.4681.00 58.73 MOL2 C ATOM 7976 O SER E 48 23.625 −63.316 −88.141 1.00 57.30MOL2 O ATOM 7977 N THR E 49 24.544 −64.320 −86.351 1.00 58.32 MOL2 NATOM 7978 CA THR E 49 23.261 −64.780 −85.845 1.00 55.76 MOL2 C ATOM 7979CB THR E 49 23.404 −65.832 −84.720 1.00 60.87 MOL2 C ATOM 7980 OG1 THR E49 24.360 −65.388 −83.753 1.00 66.62 MOL2 O ATOM 7981 CG2 THR E 4923.839 −67.162 −85.286 1.00 63.93 MOL2 C ATOM 7982 C THR E 49 22.517−63.577 −85.300 1.00 53.59 MOL2 C ATOM 7983 O THR E 49 21.354 −63.666−84.952 1.00 58.38 MOL2 O ATOM 7984 N SER E 50 23.212 −62.451 −85.2231.00 54.20 MOL2 N ATOM 7985 CA SER E 50 22.642 −61.199 −84.745 1.0051.98 MOL2 C ATOM 7986 CB SER E 50 23.176 −60.870 −83.343 1.00 60.19MOL2 C ATOM 7987 OG SER E 50 24.595 −60.942 −83.265 1.00 60.82 MOL2 OATOM 7988 C SER E 50 23.083 −60.142 −85.745 1.00 49.67 MOL2 C ATOM 7989O SER E 50 23.962 −59.337 −85.464 1.00 51.17 MOL2 O ATOM 7990 N PRO E 5122.484 −60.159 −86.943 1.00 47.99 MOL2 N ATOM 7991 CD PRO E 51 21.442−61.162 −87.202 1.00 45.73 MOL2 C ATOM 7992 CA PRO E 51 22.679 −59.294−88.118 1.00 43.36 MOL2 C ATOM 7993 CB PRO E 51 21.665 −59.830 −89.1091.00 47.50 MOL2 C ATOM 7994 CG PRO E 51 21.491 −61.266 −88.687 1.0051.77 MOL2 C ATOM 7995 C PRO E 51 22.459 −57.819 −87.834 1.00 43.28 MOL2C ATOM 7996 O PRO E 51 21.758 −57.451 −86.902 1.00 50.95 MOL2 O ATOM7997 N TRP E 52 23.028 −56.967 −88.660 1.00 41.57 MOL2 N ATOM 7998 CATRP E 52 22.905 −55.546 −88.411 1.00 50.00 MOL2 C ATOM 7999 CB TRP E 5223.895 −55.159 −87.320 1.00 47.15 MOL2 C ATOM 8000 CG TRP E 52 25.353−55.231 −87.744 1.00 45.30 MOL2 C ATOM 8001 CD2 TRP E 52 26.308 −56.259−87.418 1.00 42.68 MOL2 C ATOM 8002 CE2 TRP E 52 27.551 −55.853 −87.9301.00 41.16 MOL2 C ATOM 8003 CE3 TRP E 52 26.230 −57.475 −86.740 1.0044.00 MOL2 C ATOM 8004 CD1 TRP E 52 26.043 −54.285 −88.436 1.00 46.32MOL2 C ATOM 8005 NE1 TRP E 52 27.365 −54.646 −88.548 1.00 47.01 MOL2 NATOM 8006 CZ2 TRP E 52 28.704 −56.614 −87.782 1.00 33.73 MOL2 C ATOM8007 CZ3 TRP E 52 27.383 −58.230 −86.596 1.00 44.70 MOL2 C ATOM 8008 CH2TRP E 52 28.601 −57.794 −87.114 1.00 37.12 MOL2 C ATOM 8009 C TRP E 5223.189 −54.735 −89.665 1.00 58.16 MOL2 C ATOM 8010 O TRP E 52 24.000−55.148 −90.501 1.00 62.69 MOL2 O ATOM 8011 N ASN E 53 22.536 −53.579−89.788 1.00 59.20 MOL2 N ATOM 8012 CA ASN E 53 22.713 −52.713 −90.9461.00 60.83 MOL2 C ATOM 8013 CB ASN E 53 21.368 −52.103 −91.331 1.0070.19 MOL2 C ATOM 8014 CG ASN E 53 20.325 −53.167 −91.687 1.00 83.70MOL2 C ATOM 8015 OD1 ASN E 53 19.115 −52.957 −91.522 1.00 91.13 MOL2 OATOM 8016 ND2 ASN E 53 20.792 −54.313 −92.188 1.00 82.23 MOL2 N ATOM8017 C ASN E 53 23.725 −51.629 −90.615 1.00 61.28 MOL2 C ATOM 8018 O ASNE 53 24.013 −51.374 −89.444 1.00 64.11 MOL2 O ATOM 8019 N TYR E 5424.280 −51.016 −91.654 1.00 58.86 MOL2 N ATOM 8020 CA TYR E 54 25.268−49.960 −91.501 1.00 61.22 MOL2 C ATOM 8021 CB TYR E 54 26.493 −50.254−92.369 1.00 67.26 MOL2 C ATOM 8022 CG TYR E 54 27.529 −51.169 −91.7551.00 84.17 MOL2 C ATOM 8023 CD1 TYR E 54 28.531 −51.732 −92.538 1.0094.87 MOL2 C ATOM 8024 CE1 TYR E 54 29.520 −52.546 −91.971 1.00 101.40MOL2 C ATOM 8025 CD2 TYR E 54 27.539 −51.441 −90.389 1.00 91.15 MOL2 CATOM 8026 CE2 TYR E 54 28.525 −52.252 −89.814 1.00 92.49 MOL2 C ATOM8027 CZ TYR E 54 29.509 −52.799 −90.610 1.00 96.52 MOL2 C ATOM 8028 OHTYR E 54 30.487 −53.596 −90.056 1.00 102.91 MOL2 O ATOM 8029 C TYR E 5424.622 −48.680 −91.993 1.00 63.34 MOL2 C ATOM 8030 O TYR E 54 23.662−48.721 −92.755 1.00 66.67 MOL2 O ATOM 8031 N THR E 55 25.140 −47.542−91.560 1.00 64.79 MOL2 N ATOM 8032 CA THR E 55 24.613 −46.264 −92.0041.00 61.47 MOL2 C ATOM 8033 CB THR E 55 23.485 −45.757 −91.107 1.0061.61 MOL2 C ATOM 8034 OG1 THR E 55 23.001 −46.822 −90.274 1.00 63.86MOL2 O ATOM 8035 CG2 THR E 55 22.352 −45.240 −91.970 1.00 64.48 MOL2 CATOM 8036 C THR E 55 25.792 −45.324 −91.926 1.00 63.76 MOL2 C ATOM 8037O THR E 55 26.353 −45.105 −90.851 1.00 70.50 MOL2 O ATOM 8038 N VAL E 5626.177 −44.774 −93.068 1.00 61.24 MOL2 N ATOM 8039 CA VAL E 56 27.331−43.899 −93.110 1.00 63.31 MOL2 C ATOM 8040 CB VAL E 56 28.201 −44.233−94.312 1.00 62.79 MOL2 C ATOM 8041 CG1 VAL E 56 29.659 −44.194 −93.9071.00 70.35 MOL2 C ATOM 8042 CG2 VAL E 56 27.818 −45.592 −94.866 1.0059.65 MOL2 C ATOM 8043 C VAL E 56 27.000 −42.427 −93.164 1.00 63.17 MOL2C ATOM 8044 O VAL E 56 26.024 −42.020 −93.786 1.00 72.43 MOL2 O ATOM8045 N THR E 57 27.833 −41.629 −92.521 1.00 58.69 MOL2 N ATOM 8046 CATHR E 57 27.626 −40.201 −92.499 1.00 63.82 MOL2 C ATOM 8047 CB THR E 5727.309 −39.733 −91.056 1.00 67.38 MOL2 C ATOM 8048 OG1 THR E 57 28.520−39.593 −90.290 1.00 63.97 MOL2 O ATOM 8049 CG2 THR E 57 26.404 −40.776−90.374 1.00 65.24 MOL2 C ATOM 8050 C THR E 57 28.934 −39.622 −92.9901.00 62.36 MOL2 C ATOM 8051 O THR E 57 29.990 −40.123 −92.640 1.00 58.52MOL2 O ATOM 8052 N TRP E 58 28.871 −38.589 −93.819 1.00 62.62 MOL2 NATOM 8053 CA TRP E 58 30.092 −37.987 −94.332 1.00 58.98 MOL2 C ATOM 8054CB TRP E 58 30.190 −38.250 −95.846 1.00 59.77 MOL2 C ATOM 8055 CG TRP E58 31.457 −37.738 −96.444 1.00 64.58 MOL2 C ATOM 8056 CD2 TRP E 5831.589 −36.681 −97.400 1.00 65.84 MOL2 C ATOM 8057 CE2 TRP E 58 32.965−36.450 −97.576 1.00 63.71 MOL2 C ATOM 8058 CE3 TRP E 58 30.676 −35.903−98.120 1.00 68.04 MOL2 C ATOM 8059 CD1 TRP E 58 32.727 −38.103 −96.1041.00 62.50 MOL2 C ATOM 8060 NE1 TRP E 58 33.637 −37.335 −96.775 1.0061.01 MOL2 N ATOM 8061 CZ2 TRP E 58 33.452 −35.472 −98.437 1.00 61.12MOL2 C ATOM 8062 CZ3 TRP E 58 31.160 −34.935 −98.974 1.00 64.62 MOL2 CATOM 8063 CH2 TRP E 58 32.537 −34.727 −99.124 1.00 63.57 MOL2 C ATOM8064 C TRP E 58 30.141 −36.490 −94.028 1.00 56.58 MOL2 C ATOM 8065 O TRPE 58 29.213 −35.754 −94.348 1.00 63.01 MOL2 O ATOM 8066 N ASP E 5931.219 −36.043 −93.401 1.00 50.44 MOL2 N ATOM 8067 CA ASP E 59 31.363−34.635 −93.050 1.00 52.34 MOL2 C ATOM 8068 CB ASP E 59 31.127 −34.435−91.550 1.00 57.20 MOL2 C ATOM 8069 CG ASP E 59 31.466 −33.029 −91.0761.00 63.00 MOL2 C ATOM 8070 OD1 ASP E 59 32.027 −32.228 −91.853 1.0061.86 MOL2 O ATOM 8071 OD2 ASP E 59 31.176 −32.728 −89.900 1.00 72.14MOL2 O ATOM 8072 C ASP E 59 32.759 −34.199 −93.409 1.00 50.93 MOL2 CATOM 8073 O ASP E 59 33.728 −34.595 −92.785 1.00 54.75 MOL2 O ATOM 8074N PRO E 60 32.884 −33.389 −94.444 1.00 51.08 MOL2 N ATOM 8075 CD PRO E60 32.016 −33.418 −95.623 1.00 50.12 MOL2 C ATOM 8076 CA PRO E 60 34.220−32.950 −94.817 1.00 52.23 MOL2 C ATOM 8077 CB PRO E 60 33.999 −32.221−96.147 1.00 48.88 MOL2 C ATOM 8078 CG PRO E 60 32.514 −32.248 −96.3761.00 44.79 MOL2 C ATOM 8079 C PRO E 60 35.031 −32.157 −93.798 1.00 54.56MOL2 C ATOM 8080 O PRO E 60 36.230 −32.015 −93.962 1.00 58.78 MOL2 OATOM 8081 N ASN E 61 34.412 −31.648 −92.746 1.00 57.99 MOL2 N ATOM 8082CA ASN E 61 35.189 −30.925 −91.753 1.00 65.15 MOL2 C ATOM 8083 CB ASN E61 34.534 −29.600 −91.392 1.00 76.68 MOL2 C ATOM 8084 CG ASN E 61 34.849−28.515 −92.392 1.00 85.10 MOL2 C ATOM 8085 OD1 ASN E 61 35.999 −28.375−92.829 1.00 84.88 MOL2 O ATOM 8086 ND2 ASN E 61 33.836 −27.727 −92.7541.00 90.97 MOL2 N ATOM 8087 C ASN E 61 35.329 −31.788 −90.529 1.00 65.74MOL2 C ATOM 8088 O ASN E 61 35.362 −31.298 −89.398 1.00 73.49 MOL2 OATOM 8089 N ARG E 62 35.423 −33.088 −90.778 1.00 64.01 MOL2 N ATOM 8090CA ARG E 62 35.541 −34.092 −89.724 1.00 61.06 MOL2 C ATOM 8091 CB ARG E62 34.194 −34.787 −89.500 1.00 50.21 MOL2 C ATOM 8092 CG ARG E 62 34.311−36.035 −88.668 1.00 42.12 MOL2 C ATOM 8093 CD ARG E 62 32.982 −36.696−88.378 1.00 38.17 MOL2 C ATOM 8094 NE ARG E 62 32.435 −37.392 −89.5341.00 33.78 MOL2 N ATOM 8095 CZ ARG E 62 31.304 −38.096 −89.503 1.0039.49 MOL2 C ATOM 8096 NH1 ARG E 62 30.614 −38.194 −88.381 1.00 40.48MOL2 N ATOM 8097 NH2 ARG E 62 30.849 −38.700 −90.587 1.00 40.15 MOL2 NATOM 8098 C ARG E 62 36.548 −35.172 −90.073 1.00 60.67 MOL2 C ATOM 8099O ARG E 62 36.480 −35.764 −91.150 1.00 58.25 MOL2 O ATOM 8100 N TYR E 6337.485 −35.441 −89.174 1.00 59.80 MOL2 N ATOM 8101 CA TYR E 63 38.432−36.512 −89.439 1.00 60.11 MOL2 C ATOM 8102 CB TYR E 63 39.871 −36.025−89.508 1.00 72.93 MOL2 C ATOM 8103 CG TYR E 63 40.835 −37.175 −89.7261.00 74.02 MOL2 C ATOM 8104 CD1 TYR E 63 42.055 −37.229 −89.071 1.0076.81 MOL2 C ATOM 8105 CE1 TYR E 63 42.919 −38.290 −89.260 1.00 81.34MOL2 C ATOM 8106 CD2 TYR E 63 40.510 −38.210 −90.577 1.00 77.48 MOL2 CATOM 8107 CE2 TYR E 63 41.364 −39.269 −90.775 1.00 84.68 MOL2 C ATOM8108 CZ TYR E 63 42.570 −39.310 −90.116 1.00 82.69 MOL2 C ATOM 8109 OHTYR E 63 43.422 −40.375 −90.330 1.00 82.64 MOL2 O ATOM 8110 C TYR E 6338.356 −37.546 −88.346 1.00 55.62 MOL2 C ATOM 8111 O TYR E 63 38.590−37.246 −87.172 1.00 57.14 MOL2 O ATOM 8112 N PRO E 64 37.989 −38.775−88.710 1.00 49.22 MOL2 N ATOM 8113 CD PRO E 64 37.768 −39.882 −87.7721.00 51.20 MOL2 C ATOM 8114 CA PRO E 64 37.652 −39.199 −90.067 1.0052.71 MOL2 C ATOM 8115 CB PRO E 64 37.484 −40.694 −89.914 1.00 52.36MOL2 C ATOM 8116 CG PRO E 64 36.860 −40.793 −88.578 1.00 49.85 MOL2 CATOM 8117 C PRO E 64 36.375 −38.570 −90.606 1.00 58.88 MOL2 C ATOM 8118O PRO E 64 35.459 −38.254 −89.856 1.00 64.95 MOL2 O ATOM 8119 N SER E 6536.309 −38.428 −91.921 1.00 58.49 MOL2 N ATOM 8120 CA SER E 65 35.155−37.842 −92.568 1.00 58.30 MOL2 C ATOM 8121 CB SER E 65 35.487 −37.534−94.021 1.00 58.38 MOL2 C ATOM 8122 OG SER E 65 35.377 −38.696 −94.8131.00 50.72 MOL2 O ATOM 8123 C SER E 65 33.939 −38.758 −92.517 1.00 58.26MOL2 C ATOM 8124 O SER E 65 32.811 −38.297 −92.299 1.00 65.58 MOL2 OATOM 8125 N GLU E 66 34.156 −40.047 −92.739 1.00 49.77 MOL2 N ATOM 8126CA GLU E 66 33.054 −40.996 −92.716 1.00 51.35 MOL2 C ATOM 8127 CB GLU E66 33.248 −42.107 −93.761 1.00 53.88 MOL2 C ATOM 8128 CG GLU E 66 34.518−41.987 −94.597 1.00 82.21 MOL2 C ATOM 8129 CD GLU E 66 35.815 −42.096−93.773 1.00 93.90 MOL2 C ATOM 8130 OE1 GLU E 66 36.344 −43.224 −93.6241.00 101.45 MOL2 O ATOM 8131 OE2 GLU E 66 36.306 −41.054 −93.271 1.0097.26 MOL2 O ATOM 8132 C GLU E 66 32.971 −41.626 −91.347 1.00 49.22 MOL2C ATOM 8133 O GLU E 66 33.986 −41.945 −90.748 1.00 53.58 MOL2 O ATOM8134 N VAL E 67 31.763 −41.766 −90.825 1.00 48.38 MOL2 N ATOM 8135 CAVAL E 67 31.592 −42.432 −89.552 1.00 44.38 MOL2 C ATOM 8136 CB VAL E 6731.315 −41.495 −88.419 1.00 41.29 MOL2 C ATOM 8137 CG1 VAL E 67 31.101−42.303 −87.156 1.00 34.89 MOL2 C ATOM 8138 CG2 VAL E 67 32.487 −40.566−88.243 1.00 44.80 MOL2 C ATOM 8139 C VAL E 67 30.424 −43.350 −89.7181.00 46.42 MOL2 C ATOM 8140 O VAL E 67 29.305 −42.915 −89.974 1.00 52.39MOL2 O ATOM 8141 N VAL E 68 30.692 −44.637 −89.598 1.00 46.79 MOL2 NATOM 8142 CA VAL E 68 29.639 −45.615 −89.767 1.00 48.74 MOL2 C ATOM 8143CB VAL E 68 30.083 −46.733 −90.699 1.00 44.80 MOL2 C ATOM 8144 CG1 VAL E68 31.587 −46.827 −90.679 1.00 51.42 MOL2 C ATOM 8145 CG2 VAL E 6829.438 −48.049 −90.273 1.00 38.95 MOL2 C ATOM 8146 C VAL E 68 29.115−46.204 −88.463 1.00 51.62 MOL2 C ATOM 8147 O VAL E 68 29.884 −46.640−87.593 1.00 51.97 MOL2 O ATOM 8148 N GLN E 69 27.785 −46.196 −88.3601.00 48.19 MOL2 N ATOM 8149 CA GLN E 69 27.055 −46.676 −87.200 1.0044.45 MOL2 C ATOM 8150 CB GLN E 69 26.099 −45.604 −86.732 1.00 39.76MOL2 C ATOM 8151 CG GLN E 69 26.752 −44.362 −86.241 1.00 44.61 MOL2 CATOM 8152 CD GLN E 69 27.284 −44.556 −84.865 1.00 52.58 MOL2 C ATOM 8153OE1 GLN E 69 26.876 −45.488 −84.159 1.00 60.19 MOL2 O ATOM 8154 NE2 GLNE 69 28.186 −43.674 −84.451 1.00 52.03 MOL2 N ATOM 8155 C GLN E 6926.247 −47.885 −87.602 1.00 48.34 MOL2 C ATOM 8156 O GLN E 69 25.657−47.909 −88.674 1.00 49.92 MOL2 O ATOM 8157 N ALA E 70 26.201 −48.886−86.738 1.00 49.90 MOL2 N ATOM 8158 CA ALA E 70 25.438 −50.081 −87.0531.00 52.19 MOL2 C ATOM 8159 CB ALA E 70 26.241 −51.297 −86.697 1.0056.24 MOL2 C ATOM 8160 C ALA E 70 24.123 −50.083 −86.293 1.00 54.52 MOL2C ATOM 8161 O ALA E 70 23.935 −49.283 −85.389 1.00 64.93 MOL2 O ATOM8162 N GLN E 71 23.205 −50.967 −86.668 1.00 51.19 MOL2 N ATOM 8163 CAGLN E 71 21.927 −51.077 −85.971 1.00 48.31 MOL2 C ATOM 8164 CB GLN E 7120.872 −50.148 −86.568 1.00 54.09 MOL2 C ATOM 8165 CG GLN E 71 21.257−49.407 −87.821 1.00 72.60 MOL2 C ATOM 8166 CD GLN E 71 20.024 −48.832−88.507 1.00 89.45 MOL2 C ATOM 8167 OE1 GLN E 71 19.225 −48.123 −87.8801.00 92.14 MOL2 O ATOM 8168 NE2 GLN E 71 19.856 −49.143 −89.798 1.0091.96 MOL2 N ATOM 8169 C GLN E 71 21.441 −52.513 −86.053 1.00 41.89 MOL2C ATOM 8170 O GLN E 71 21.283 −53.038 −87.138 1.00 39.47 MOL2 O ATOM8171 N CYS E 72 21.202 −53.158 −84.917 1.00 40.31 MOL2 N ATOM 8172 CACYS E 72 20.753 −54.550 −84.954 1.00 44.02 MOL2 C ATOM 8173 C CYS E 7219.472 −54.722 −85.763 1.00 48.09 MOL2 C ATOM 8174 O CYS E 72 18.469−54.048 −85.531 1.00 46.70 MOL2 O ATOM 8175 CB CYS E 72 20.566 −55.108−83.540 1.00 43.82 MOL2 C ATOM 8176 SG CYS E 72 22.020 −54.777 −82.5031.00 50.10 MOL2 S ATOM 8177 N ARG E 73 19.517 −55.645 −86.719 1.00 55.21MOL2 N ATOM 8178 CA ARG E 73 18.382 −55.909 −87.592 1.00 58.95 MOL2 CATOM 8179 CB ARG E 73 18.808 −56.797 −88.756 1.00 62.39 MOL2 C ATOM 8180CG ARG E 73 19.601 −56.092 −89.847 1.00 77.27 MOL2 C ATOM 8181 CD ARG E73 19.235 −56.699 −91.191 1.00 91.12 MOL2 C ATOM 8182 NE ARG E 73 18.715−58.048 −90.981 1.00 107.33 MOL2 N ATOM 8183 CZ ARG E 73 18.205 −58.827−91.928 1.00 113.35 MOL2 C ATOM 8184 NH1 ARG E 73 18.141 −58.395 −93.1851.00 113.41 MOL2 N ATOM 8185 NH2 ARG E 73 17.748 −60.037 −91.606 1.00114.87 MOL2 N ATOM 8186 C ARG E 73 17.146 −56.522 −86.945 1.00 61.16MOL2 C ATOM 8187 O ARG E 73 16.032 −56.280 −87.408 1.00 63.88 MOL2 OATOM 8188 N ASN E 74 17.331 −57.309 −85.887 1.00 60.75 MOL2 N ATOM 8189CA ASN E 74 16.211 −57.957 −85.204 1.00 58.58 MOL2 C ATOM 8190 CB ASN E74 16.179 −59.432 −85.573 1.00 63.88 MOL2 C ATOM 8191 CG ASN E 74 15.723−59.657 −86.987 1.00 73.21 MOL2 C ATOM 8192 OD1 ASN E 74 16.306 −60.453−87.730 1.00 77.35 MOL2 O ATOM 8193 ND2 ASN E 74 14.656 −58.960 −87.3731.00 82.26 MOL2 N ATOM 8194 C ASN E 74 16.307 −57.836 −83.696 1.00 55.64MOL2 C ATOM 8195 O ASN E 74 17.282 −57.316 −83.175 1.00 54.84 MOL2 OATOM 8196 N LEU E 75 15.292 −58.320 −82.992 1.00 55.82 MOL2 N ATOM 8197CA LEU E 75 15.304 −58.273 −81.534 1.00 57.06 MOL2 C ATOM 8198 CB LEU E75 13.893 −58.148 −80.958 1.00 52.04 MOL2 C ATOM 8199 CG LEU E 75 13.217−56.784 −80.985 1.00 51.80 MOL2 C ATOM 8200 CD1 LEU E 75 12.080 −56.788−79.997 1.00 49.65 MOL2 C ATOM 8201 CD2 LEU E 75 14.206 −55.703 −80.6091.00 55.31 MOL2 C ATOM 8202 C LEU E 75 15.921 −59.545 −80.997 1.00 63.81MOL2 C ATOM 8203 O LEU E 75 16.712 −59.510 −80.055 1.00 68.47 MOL2 OATOM 8204 N GLY E 76 15.536 −60.676 −81.584 1.00 66.68 MOL2 N ATOM 8205CA GLY E 76 16.087 −61.949 −81.158 1.00 71.12 MOL2 C ATOM 8206 C GLY E76 17.291 −62.285 −82.022 1.00 76.93 MOL2 C ATOM 8207 O GLY E 76 17.827−61.409 −82.705 1.00 79.58 MOL2 O ATOM 8208 N CYS E 77 17.736 −63.539−81.996 1.00 78.39 MOL2 N ATOM 8209 CA CYS E 77 18.875 −63.957 −82.8161.00 78.17 MOL2 C ATOM 8210 C CYS E 77 18.320 −64.899 −83.858 1.00 76.71MOL2 C ATOM 8211 O CYS E 77 17.166 −65.294 −83.764 1.00 81.20 MOL2 OATOM 8212 CB CYS E 77 19.917 −64.690 −81.977 1.00 78.22 MOL2 C ATOM 8213SG CYS E 77 20.364 −63.798 −80.459 1.00 89.73 MOL2 S ATOM 8214 N ILE E78 19.112 −65.263 −84.857 1.00 76.75 MOL2 N ATOM 8215 CA ILE E 78 18.595−66.174 −85.862 1.00 80.49 MOL2 C ATOM 8216 CB ILE E 78 18.601 −65.556−87.258 1.00 75.11 MOL2 C ATOM 8217 CG2 ILE E 78 17.856 −64.245 −87.2221.00 64.70 MOL2 C ATOM 8218 CG1 ILE E 78 20.034 −65.386 −87.764 1.0085.80 MOL2 C ATOM 8219 CD1 ILE E 78 20.612 −66.611 −88.489 1.00 90.17MOL2 C ATOM 8220 C ILE E 78 19.332 −67.492 −85.885 1.00 89.07 MOL2 CATOM 8221 O ILE E 78 20.520 −67.550 −85.586 1.00 92.56 MOL2 O ATOM 8222N ASN E 79 18.617 −68.562 −86.221 1.00 98.50 MOL2 N ATOM 8223 CA ASN E79 19.241 −69.877 −86.256 1.00 110.09 MOL2 C ATOM 8224 CB ASN E 7918.358 −70.928 −85.585 1.00 107.86 MOL2 C ATOM 8225 CG ASN E 79 17.128−71.233 −86.377 1.00 108.80 MOL2 C ATOM 8226 OD1 ASN E 79 16.256 −70.385−86.534 1.00 110.53 MOL2 O ATOM 8227 ND2 ASN E 79 17.047 −72.452 −86.8971.00 113.64 MOL2 N ATOM 8228 C ASN E 79 19.592 −70.311 −87.671 1.00118.27 MOL2 C ATOM 8229 O ASN E 79 19.956 −69.475 −88.501 1.00 121.27MOL2 O ATOM 8230 N ALA E 80 19.514 −71.615 −87.935 1.00 125.19 MOL2 NATOM 8231 CA ALA E 80 19.834 −72.158 −89.256 1.00 130.61 MOL2 C ATOM8232 CB ALA E 80 19.715 −73.673 −89.235 1.00 128.53 MOL2 C ATOM 8233 CALA E 80 18.878 −71.571 −90.291 1.00 134.25 MOL2 C ATOM 8234 O ALA E 8018.054 −72.287 −90.865 1.00 133.17 MOL2 O ATOM 8235 N GLN E 81 19.009−70.265 −90.521 1.00 137.89 MOL2 N ATOM 8236 CA GLN E 81 18.156 −69.523−91.445 1.00 139.14 MOL2 C ATOM 8237 CB GLN E 81 18.337 −70.014 −92.8871.00 144.30 MOL2 C ATOM 8238 CG GLN E 81 19.145 −69.054 −93.762 1.00149.40 MOL2 C ATOM 8239 CD GLN E 81 19.094 −69.405 −95.243 1.00 152.30MOL2 C ATOM 8240 OE1 GLN E 81 19.635 −70.427 −95.671 1.00 153.27 MOL2 OATOM 8241 NE2 GLN E 81 18.436 −68.556 −96.031 1.00 150.03 MOL2 N ATOM8242 C GLN E 81 16.698 −69.655 −91.021 1.00 135.84 MOL2 C ATOM 8243 OGLN E 81 15.786 −69.412 −91.808 1.00 135.95 MOL2 O ATOM 8244 N GLY E 8216.489 −70.022 −89.760 1.00 131.45 MOL2 N ATOM 8245 CA GLY E 82 15.140−70.198 −89.255 1.00 126.03 MOL2 C ATOM 8246 C GLY E 82 14.604 −69.061−88.410 1.00 119.59 MOL2 C ATOM 8247 O GLY E 82 14.038 −69.284 −87.3421.00 117.87 MOL2 O ATOM 8248 N LYS E 83 14.769 −67.842 −88.903 1.00114.72 MOL2 N ATOM 8249 CA LYS E 83 14.314 −66.643 −88.210 1.00 114.48MOL2 C ATOM 8250 CB LYS E 83 12.882 −66.288 −88.642 1.00 119.53 MOL2 CATOM 8251 CG LYS E 83 12.830 −65.305 −89.833 1.00 123.26 MOL2 C ATOM8252 CD LYS E 83 13.557 −63.989 −89.496 1.00 122.89 MOL2 C ATOM 8253 CELYS E 83 13.596 −62.996 −90.660 1.00 121.89 MOL2 C ATOM 8254 NZ LYS E 8314.360 −61.750 −90.315 1.00 114.22 MOL2 N ATOM 8255 C LYS E 83 14.442−66.610 −86.677 1.00 108.72 MOL2 C ATOM 8256 O LYS E 83 14.914 −67.556−86.047 1.00 105.13 MOL2 O ATOM 8257 N GLU E 84 14.023 −65.482 −86.1051.00 102.09 MOL2 N ATOM 8258 CA GLU E 84 14.101 −65.198 −84.678 1.0091.74 MOL2 C ATOM 8259 CB GLU E 84 13.147 −64.053 −84.329 1.00 87.64MOL2 C ATOM 8260 CG GLU E 84 13.637 −62.700 −84.802 1.00 86.66 MOL2 CATOM 8261 CD GLU E 84 12.865 −61.559 −84.198 1.00 87.09 MOL2 C ATOM 8262OE1 GLU E 84 13.296 −60.396 −84.357 1.00 88.12 MOL2 O ATOM 8263 OE2 GLUE 84 11.823 −61.824 −83.565 1.00 92.87 MOL2 O ATOM 8264 C GLU E 8413.908 −66.315 −83.676 1.00 87.00 MOL2 C ATOM 8265 O GLU E 84 13.220−67.293 −83.926 1.00 89.11 MOL2 O ATOM 8266 N ASP E 85 14.546 −66.139−82.528 1.00 82.08 MOL2 N ATOM 8267 CA ASP E 85 14.463 −67.066 −81.4161.00 77.74 MOL2 C ATOM 8268 CB ASP E 85 15.656 −68.012 −81.403 1.0075.72 MOL2 C ATOM 8269 CG ASP E 85 15.702 −68.864 −80.144 1.00 80.58MOL2 C ATOM 8270 OD1 ASP E 85 16.701 −69.580 −79.925 1.00 85.99 MOL2 OATOM 8271 OD2 ASP E 85 14.729 −68.821 −79.365 1.00 83.71 MOL2 O ATOM8272 C ASP E 85 14.509 −66.192 −80.174 1.00 78.30 MOL2 C ATOM 8273 O ASPE 85 15.496 −66.208 −79.440 1.00 80.45 MOL2 O ATOM 8274 N ILE E 8613.443 −65.427 −79.951 1.00 75.25 MOL2 N ATOM 8275 CA ILE E 86 13.344−64.510 −78.819 1.00 71.69 MOL2 C ATOM 8276 CB ILE E 86 11.875 −64.045−78.634 1.00 71.23 MOL2 C ATOM 8277 CG2 ILE E 86 11.667 −63.457 −77.2631.00 77.83 MOL2 C ATOM 8278 CG1 ILE E 86 11.527 −62.988 −79.674 1.0069.23 MOL2 C ATOM 8279 CD1 ILE E 86 11.462 −63.523 −81.068 1.00 79.34MOL2 C ATOM 8280 C ILE E 86 13.881 −65.028 −77.481 1.00 71.67 MOL2 CATOM 8281 O ILE E 86 14.058 −64.248 −76.543 1.00 67.22 MOL2 O ATOM 8282N SER E 87 14.145 −66.330 −77.376 1.00 72.81 MOL2 N ATOM 8283 CA SER E87 14.654 −66.859 −76.116 1.00 72.24 MOL2 C ATOM 8284 CB SER E 87 14.984−68.359 −76.223 1.00 72.21 MOL2 C ATOM 8285 OG SER E 87 15.928 −68.635−77.239 1.00 78.01 MOL2 O ATOM 8286 C SER E 87 15.886 −66.044 −75.7291.00 71.37 MOL2 C ATOM 8287 O SER E 87 16.111 −65.770 −74.544 1.00 70.16MOL2 O ATOM 8288 N MET E 88 16.646 −65.633 −76.746 1.00 68.20 MOL2 NATOM 8289 CA MET E 88 17.861 −64.833 −76.588 1.00 68.21 MOL2 C ATOM 8290CB MET E 88 19.088 −65.642 −77.008 1.00 77.59 MOL2 C ATOM 8291 CG MET E88 19.161 −67.040 −76.439 1.00 86.89 MOL2 C ATOM 8292 SD MET E 88 20.421−68.022 −77.268 1.00 102.29 MOL2 S ATOM 8293 CE MET E 88 19.438 −68.906−78.523 1.00 93.64 MOL2 C ATOM 8294 C MET E 88 17.738 −63.650 −77.5391.00 62.85 MOL2 C ATOM 8295 O MET E 88 17.182 −63.792 −78.619 1.00 65.48MOL2 O ATOM 8296 N ASN E 89 18.272 −62.496 −77.166 1.00 55.62 MOL2 NATOM 8297 CA ASN E 89 18.178 −61.335 −78.040 1.00 50.85 MOL2 C ATOM 8298CB ASN E 89 17.564 −60.161 −77.288 1.00 49.55 MOL2 C ATOM 8299 CG ASN E89 16.982 −60.568 −75.947 1.00 57.40 MOL2 C ATOM 8300 OD1 ASN E 8917.692 −60.692 −74.938 1.00 53.95 MOL2 O ATOM 8301 ND2 ASN E 89 15.676−60.787 −75.932 1.00 61.21 MOL2 N ATOM 8302 C ASN E 89 19.536 −60.915−78.556 1.00 50.59 MOL2 C ATOM 8303 O ASN E 89 20.570 −61.272 −77.9811.00 48.04 MOL2 O ATOM 8304 N SER E 90 19.519 −60.154 −79.648 1.00 48.61MOL2 N ATOM 8305 CA SER E 90 20.740 −59.633 −80.244 1.00 47.70 MOL2 CATOM 8306 CB SER E 90 20.662 −59.693 −81.773 1.00 46.19 MOL2 C ATOM 8307OG SER E 90 19.531 −59.018 −82.267 1.00 50.16 MOL2 O ATOM 8308 C SER E90 20.874 −58.195 −79.752 1.00 44.95 MOL2 C ATOM 8309 O SER E 90 19.905−57.450 −79.738 1.00 44.20 MOL2 O ATOM 8310 N VAL E 91 22.072 −57.813−79.330 1.00 44.28 MOL2 N ATOM 8311 CA VAL E 91 22.288 −56.475 −78.8081.00 43.66 MOL2 C ATOM 8312 CB VAL E 91 22.482 −56.538 −77.309 1.0041.57 MOL2 C ATOM 8313 CG1 VAL E 91 21.187 −56.883 −76.658 1.00 44.38MOL2 C ATOM 8314 CG2 VAL E 91 23.499 −57.607 −76.977 1.00 39.58 MOL2 CATOM 8315 C VAL E 91 23.487 −55.773 −79.427 1.00 44.74 MOL2 C ATOM 8316O VAL E 91 24.452 −56.403 −79.835 1.00 43.70 MOL2 O ATOM 8317 N PRO E 9223.440 −54.443 −79.496 1.00 42.31 MOL2 N ATOM 8318 CD PRO E 92 22.345−53.554 −79.093 1.00 42.44 MOL2 C ATOM 8319 CA PRO E 92 24.530 −53.673−80.072 1.00 40.29 MOL2 C ATOM 8320 CB PRO E 92 23.917 −52.298 −80.2471.00 40.11 MOL2 C ATOM 8321 CG PRO E 92 23.028 −52.208 −79.090 1.0041.06 MOL2 C ATOM 8322 C PRO E 92 25.748 −53.621 −79.191 1.00 43.13 MOL2C ATOM 8323 O PRO E 92 25.655 −53.723 −77.974 1.00 42.59 MOL2 O ATOM8324 N ILE E 93 26.892 −53.453 −79.837 1.00 48.16 MOL2 N ATOM 8325 CAILE E 93 28.187 −53.343 −79.180 1.00 49.81 MOL2 C ATOM 8326 CB ILE E 9329.195 −54.299 −79.803 1.00 46.92 MOL2 C ATOM 8327 CG2 ILE E 93 30.533−54.107 −79.178 1.00 44.02 MOL2 C ATOM 8328 CG1 ILE E 93 28.729 −55.730−79.601 1.00 51.27 MOL2 C ATOM 8329 CD1 ILE E 93 28.373 −56.023 −78.1571.00 53.71 MOL2 C ATOM 8330 C ILE E 93 28.624 −51.935 −79.503 1.00 52.28MOL2 C ATOM 8331 O ILE E 93 28.746 −51.587 −80.679 1.00 57.40 MOL2 OATOM 8332 N GLN E 94 28.865 −51.123 −78.485 1.00 49.84 MOL2 N ATOM 8333CA GLN E 94 29.246 −49.742 −78.732 1.00 56.54 MOL2 C ATOM 8334 CB GLN E94 28.224 −48.823 −78.052 1.00 59.34 MOL2 C ATOM 8335 CG GLN E 94 26.780−49.139 −78.458 1.00 70.43 MOL2 C ATOM 8336 CD GLN E 94 25.730 −48.440−77.604 1.00 75.73 MOL2 C ATOM 8337 OE1 GLN E 94 25.596 −47.216 −77.6371.00 77.91 MOL2 O ATOM 8338 NE2 GLN E 94 24.974 −49.223 −76.836 1.0079.77 MOL2 N ATOM 8339 C GLN E 94 30.660 −49.417 −78.269 1.00 59.38 MOL2C ATOM 8340 O GLN E 94 31.153 −49.996 −77.309 1.00 65.31 MOL2 O ATOM8341 N GLN E 95 31.302 −48.484 −78.962 1.00 61.31 MOL2 N ATOM 8342 CAGLN E 95 32.663 −48.063 −78.653 1.00 62.87 MOL2 C ATOM 8343 CB GLN E 9533.612 −48.677 −79.690 1.00 67.12 MOL2 C ATOM 8344 CG GLN E 95 34.979−48.016 −79.837 1.00 74.36 MOL2 C ATOM 8345 CD GLN E 95 35.848 −48.154−78.597 1.00 85.35 MOL2 C ATOM 8346 OE1 GLN E 95 37.015 −47.749 −78.6011.00 89.40 MOL2 O ATOM 8347 NE2 GLN E 95 35.287 −48.723 −77.526 1.0086.40 MOL2 N ATOM 8348 C GLN E 95 32.753 −46.541 −78.705 1.00 64.12 MOL2C ATOM 8349 O GLN E 95 32.292 −45.928 −79.663 1.00 65.85 MOL2 O ATOM8350 N GLU E 96 33.327 −45.927 −77.676 1.00 65.29 MOL2 N ATOM 8351 CAGLU E 96 33.480 −44.477 −77.663 1.00 68.39 MOL2 C ATOM 8352 CB GLU E 9633.680 −43.969 −76.235 1.00 81.52 MOL2 C ATOM 8353 CG GLU E 96 34.980−44.494 −75.605 1.00 107.35 MOL2 C ATOM 8354 CD GLU E 96 35.366 −43.816−74.290 1.00 119.77 MOL2 C ATOM 8355 OE1 GLU E 96 34.585 −43.908 −73.3131.00 126.29 MOL2 O ATOM 8356 OE2 GLU E 96 36.460 −43.199 −74.236 1.00121.87 MOL2 O ATOM 8357 C GLU E 96 34.734 −44.177 −78.478 1.00 63.33MOL2 C ATOM 8358 O GLU E 96 35.786 −44.764 −78.248 1.00 58.01 MOL2 OATOM 8359 N THR E 97 34.622 −43.272 −79.438 1.00 63.40 MOL2 N ATOM 8360CA THR E 97 35.767 −42.914 −80.261 1.00 63.98 MOL2 C ATOM 8361 CB THR E97 35.613 −43.480 −81.692 1.00 66.25 MOL2 C ATOM 8362 OG1 THR E 9736.594 −42.892 −82.568 1.00 69.23 MOL2 O ATOM 8363 CG2 THR E 97 34.221−43.211 −82.208 1.00 58.80 MOL2 C ATOM 8364 C THR E 97 35.963 −41.400−80.332 1.00 62.45 MOL2 C ATOM 8365 O THR E 97 35.090 −40.618 −79.9521.00 60.21 MOL2 O ATOM 8366 N LEU E 98 37.125 −41.002 −80.825 1.00 58.41MOL2 N ATOM 8367 CA LEU E 98 37.469 −39.607 −80.950 1.00 51.78 MOL2 CATOM 8368 CB LEU E 98 38.867 −39.411 −80.421 1.00 47.88 MOL2 C ATOM 8369CG LEU E 98 39.022 −38.238 −79.499 1.00 44.52 MOL2 C ATOM 8370 CD1 LEU E98 38.088 −38.411 −78.326 1.00 37.36 MOL2 C ATOM 8371 CD2 LEU E 9840.465 −38.175 −79.066 1.00 45.64 MOL2 C ATOM 8372 C LEU E 98 37.454−39.220 −82.414 1.00 52.01 MOL2 C ATOM 8373 O LEU E 98 37.773 −40.036−83.277 1.00 57.53 MOL2 O ATOM 8374 N VAL E 99 37.084 −37.979 −82.6931.00 47.39 MOL2 N ATOM 8375 CA VAL E 99 37.076 −37.466 −84.059 1.0043.63 MOL2 C ATOM 8376 CB VAL E 99 35.686 −37.468 −84.676 1.00 36.40MOL2 C ATOM 8377 CG1 VAL E 99 35.425 −38.771 −85.360 1.00 36.46 MOL2 CATOM 8378 CG2 VAL E 99 34.664 −37.258 −83.598 1.00 40.01 MOL2 C ATOM8379 C VAL E 99 37.539 −36.038 −83.951 1.00 47.78 MOL2 C ATOM 8380 O VALE 99 37.568 −35.476 −82.856 1.00 54.67 MOL2 O ATOM 8381 N VAL E 10037.910 −35.440 −85.071 1.00 49.89 MOL2 N ATOM 8382 CA VAL E 100 38.379−34.072 −85.021 1.00 53.73 MOL2 C ATOM 8383 CB VAL E 100 39.815 −33.971−85.542 1.00 46.88 MOL2 C ATOM 8384 CG1 VAL E 100 40.419 −32.651 −85.1291.00 48.36 MOL2 C ATOM 8385 CG2 VAL E 100 40.646 −35.096 −84.997 1.0044.54 MOL2 C ATOM 8386 C VAL E 100 37.489 −33.181 −85.859 1.00 61.88MOL2 C ATOM 8387 O VAL E 100 37.089 −33.566 −86.954 1.00 61.99 MOL2 OATOM 8388 N ARG E 101 37.175 −31.999 −85.331 1.00 70.51 MOL2 N ATOM 8389CA ARG E 101 36.339 −31.027 −86.023 1.00 76.01 MOL2 C ATOM 8390 CB ARG E101 35.261 −30.471 −85.077 1.00 78.41 MOL2 C ATOM 8391 CG ARG E 10133.868 −31.075 −85.255 1.00 82.62 MOL2 C ATOM 8392 CD ARG E 101 33.364−30.846 −86.677 1.00 87.29 MOL2 C ATOM 8393 NE ARG E 101 32.050 −31.429−86.929 1.00 89.15 MOL2 N ATOM 8394 CZ ARG E 101 31.724 −32.691 −86.6661.00 97.26 MOL2 C ATOM 8395 NH1 ARG E 101 32.615 −33.513 −86.129 1.00101.19 MOL2 N ATOM 8396 NH2 ARG E 101 30.510 −33.144 −86.957 1.00 101.44MOL2 N ATOM 8397 C ARG E 101 37.212 −29.889 −86.523 1.00 79.13 MOL2 CATOM 8398 O ARG E 101 38.080 −29.396 −85.798 1.00 80.39 MOL2 O ATOM 8399N ARG E 102 36.991 −29.487 −87.769 1.00 82.53 MOL2 N ATOM 8400 CA ARG E102 37.746 −28.394 −88.348 1.00 94.21 MOL2 C ATOM 8401 CB ARG E 10238.169 −28.751 −89.784 1.00 89.08 MOL2 C ATOM 8402 CG ARG E 102 39.107−27.719 −90.411 1.00 94.33 MOL2 C ATOM 8403 CD ARG E 102 39.931 −28.228−91.597 1.00 90.53 MOL2 C ATOM 8404 NE ARG E 102 39.124 −28.737 −92.7071.00 96.73 MOL2 N ATOM 8405 CZ ARG E 102 39.600 −28.956 −93.932 1.0096.62 MOL2 C ATOM 8406 NH1 ARG E 102 40.873 −28.696 −94.198 1.00 96.35MOL2 N ATOM 8407 NH2 ARG E 102 38.818 −29.460 −94.884 1.00 92.42 MOL2 NATOM 8408 C ARG E 102 36.859 −27.143 −88.312 1.00 102.33 MOL2 C ATOM8409 O ARG E 102 36.078 −26.904 −89.227 1.00 109.01 MOL2 O ATOM 8410 NLYS E 103 36.975 −26.358 −87.241 1.00 107.68 MOL2 N ATOM 8411 CA LYS E103 36.172 −25.150 −87.074 1.00 116.53 MOL2 C ATOM 8412 CB LYS E 10336.121 −24.745 −85.596 1.00 120.05 MOL2 C ATOM 8413 CG LYS E 103 35.175−25.552 −84.711 1.00 122.89 MOL2 C ATOM 8414 CD LYS E 103 35.071 −24.912−83.321 1.00 126.56 MOL2 C ATOM 8415 CE LYS E 103 34.599 −23.449 −83.4111.00 130.65 MOL2 C ATOM 8416 NZ LYS E 103 34.624 −22.698 −82.111 1.00128.86 MOL2 N ATOM 8417 C LYS E 103 36.664 −23.956 −87.891 1.00 122.22MOL2 C ATOM 8418 O LYS E 103 37.867 −23.740 −88.025 1.00 124.36 MOL2 OATOM 8419 N HIS E 104 35.714 −23.187 −88.424 1.00 128.02 MOL2 N ATOM8420 CA HIS E 104 35.993 −21.995 −89.223 1.00 133.44 MOL2 C ATOM 8421 CBHIS E 104 36.836 −21.029 −88.407 1.00 135.13 MOL2 C ATOM 8422 CG HIS E104 36.226 −20.694 −87.086 1.00 141.12 MOL2 C ATOM 8423 CD2 HIS E 10434.936 −20.701 −86.677 1.00 143.94 MOL2 C ATOM 8424 ND1 HIS E 104 36.974−20.320 −85.990 1.00 145.74 MOL2 N ATOM 8425 CE1 HIS E 104 36.170−20.115 −84.962 1.00 148.35 MOL2 C ATOM 8426 NE2 HIS E 104 34.928−20.339 −85.352 1.00 148.24 MOL2 N ATOM 8427 C HIS E 104 36.659 −22.305−90.558 1.00 137.66 MOL2 C ATOM 8428 O HIS E 104 36.969 −23.461 −90.8511.00 137.91 MOL2 O ATOM 8429 N GLN E 105 36.865 −21.272 −91.373 1.00141.84 MOL2 N ATOM 8430 CA GLN E 105 37.472 −21.447 −92.694 1.00 144.01MOL2 C ATOM 8431 CB GLN E 105 36.443 −21.151 −93.800 1.00 143.87 MOL2 CATOM 8432 CG GLN E 105 35.011 −21.615 −93.506 1.00 145.95 MOL2 C ATOM8433 CD GLN E 105 34.162 −20.553 −92.795 1.00 146.60 MOL2 C ATOM 8434OE1 GLN E 105 34.565 −19.995 −91.772 1.00 146.19 MOL2 O ATOM 8435 NE2GLN E 105 32.977 −20.281 −93.339 1.00 145.01 MOL2 N ATOM 8436 C GLN E105 38.702 −20.561 −92.912 1.00 144.82 MOL2 C ATOM 8437 O GLN E 10539.045 −19.725 −92.070 1.00 146.22 MOL2 O ATOM 8438 N GLY E 106 39.364−20.758 −94.049 1.00 143.26 MOL2 N ATOM 8439 CA GLY E 106 40.534 −19.965−94.379 1.00 140.46 MOL2 C ATOM 8440 C GLY E 106 41.700 −20.064 −93.4161.00 139.38 MOL2 C ATOM 8441 O GLY E 106 42.065 −21.153 −92.982 1.00136.71 MOL2 O ATOM 8442 N CYS E 107 42.282 −18.914 −93.084 1.00 140.88MOL2 N ATOM 8443 CA CYS E 107 43.436 −18.846 −92.187 1.00 141.09 MOL2 CATOM 8444 CB CYS E 107 44.184 −17.524 −92.394 1.00 144.81 MOL2 C ATOM8445 SG CYS E 107 44.506 −17.088 −94.132 1.00 150.21 MOL2 S ATOM 8446 CCYS E 107 43.042 −18.969 −90.724 1.00 138.31 MOL2 C ATOM 8447 O CYS E107 43.869 −19.298 −89.874 1.00 134.91 MOL2 O ATOM 8448 N SER E 10841.775 −18.693 −90.439 1.00 137.79 MOL2 N ATOM 8449 CA SER E 108 41.250−18.761 −89.080 1.00 137.28 MOL2 C ATOM 8450 CB SER E 108 40.115 −17.748−88.935 1.00 136.25 MOL2 C ATOM 8451 OG SER E 108 39.337 −17.709 −90.1221.00 133.03 MOL2 O ATOM 8452 C SER E 108 40.755 −20.164 −88.720 1.00135.53 MOL2 C ATOM 8453 O SER E 108 39.730 −20.316 −88.052 1.00 135.14MOL2 O ATOM 8454 N VAL E 109 41.498 −21.183 −89.150 1.00 133.48 MOL2 NATOM 8455 CA VAL E 109 41.126 −22.575 −88.886 1.00 127.95 MOL2 C ATOM8456 CB VAL E 109 41.530 −23.517 −90.053 1.00 126.09 MOL2 C ATOM 8457CG1 VAL E 109 43.048 −23.621 −90.153 1.00 123.85 MOL2 C ATOM 8458 CG2VAL E 109 40.930 −24.892 −89.832 1.00 122.13 MOL2 C ATOM 8459 C VAL E109 41.701 −23.170 −87.600 1.00 125.62 MOL2 C ATOM 8460 O VAL E 10942.902 −23.074 −87.318 1.00 125.31 MOL2 O ATOM 8461 N SER E 110 40.817−23.792 −86.828 1.00 121.03 MOL2 N ATOM 8462 CA SER E 110 41.188 −24.438−85.576 1.00 116.37 MOL2 C ATOM 8463 CB SER E 110 40.598 −23.681 −84.3801.00 118.52 MOL2 C ATOM 8464 OG SER E 110 39.182 −23.629 −84.436 1.00117.06 MOL2 O ATOM 8465 C SER E 110 40.655 −25.869 −85.605 1.00 111.82MOL2 C ATOM 8466 O SER E 110 39.785 −26.195 −86.416 1.00 111.72 MOL2 OATOM 8467 N PHE E 111 41.179 −26.717 −84.724 1.00 103.94 MOL2 N ATOM8468 CA PHE E 111 40.768 −28.117 −84.647 1.00 94.38 MOL2 C ATOM 8469 CBPHE E 111 41.935 −29.025 −84.994 1.00 95.39 MOL2 C ATOM 8470 CG PHE E111 42.360 −28.947 −86.413 1.00 96.16 MOL2 C ATOM 8471 CD1 PHE E 11143.616 −29.383 −86.790 1.00 98.09 MOL2 C ATOM 8472 CD2 PHE E 111 41.498−28.469 −87.380 1.00 98.78 MOL2 C ATOM 8473 CE1 PHE E 111 44.008 −29.345−88.109 1.00 102.22 MOL2 C ATOM 8474 CE2 PHE E 111 41.880 −28.426−88.705 1.00 102.39 MOL2 C ATOM 8475 CZ PHE E 111 43.138 −28.865 −89.0721.00 103.46 MOL2 C ATOM 8476 C PHE E 111 40.325 −28.459 −83.246 1.0089.06 MOL2 C ATOM 8477 O PHE E 111 41.009 −28.124 −82.288 1.00 92.32MOL2 O ATOM 8478 N GLN E 112 39.205 −29.156 −83.125 1.00 83.17 MOL2 NATOM 8479 CA GLN E 112 38.696 −29.532 −81.813 1.00 84.29 MOL2 C ATOM8480 CB GLN E 112 37.455 −28.693 −81.507 1.00 86.73 MOL2 C ATOM 8481 CGGLN E 112 36.813 −28.977 −80.171 1.00 90.55 MOL2 C ATOM 8482 CD GLN E112 35.873 −27.876 −79.748 1.00 91.46 MOL2 C ATOM 8483 OE1 GLN E 11235.122 −27.334 −80.563 1.00 88.26 MOL2 O ATOM 8484 NE2 GLN E 112 35.901−27.541 −78.462 1.00 97.18 MOL2 N ATOM 8485 C GLN E 112 38.376 −31.031−81.738 1.00 82.43 MOL2 C ATOM 8486 O GLN E 112 37.858 −31.602 −82.6951.00 77.70 MOL2 O ATOM 8487 N LEU E 113 38.685 −31.662 −80.602 1.0080.30 MOL2 N ATOM 8488 CA LEU E 113 38.437 −33.100 −80.425 1.00 74.22MOL2 C ATOM 8489 CB LEU E 113 39.433 −33.709 −79.433 1.00 66.96 MOL2 CATOM 8490 CG LEU E 113 40.872 −33.756 −79.932 1.00 65.93 MOL2 C ATOM8491 CD1 LEU E 113 41.740 −34.570 −79.004 1.00 55.44 MOL2 C ATOM 8492CD2 LEU E 113 40.868 −34.357 −81.321 1.00 66.02 MOL2 C ATOM 8493 C LEU E113 37.043 −33.448 −79.954 1.00 72.97 MOL2 C ATOM 8494 O LEU E 11336.702 −33.198 −78.803 1.00 80.24 MOL2 O ATOM 8495 N GLU E 114 36.238−34.032 −80.836 1.00 72.95 MOL2 N ATOM 8496 CA GLU E 114 34.880 −34.440−80.471 1.00 70.69 MOL2 C ATOM 8497 CB GLU E 114 33.897 −34.241 −81.6131.00 72.79 MOL2 C ATOM 8498 CG GLU E 114 32.513 −34.748 −81.275 1.0083.81 MOL2 C ATOM 8499 CD GLU E 114 31.487 −34.412 −82.342 1.00 94.74MOL2 C ATOM 8500 OE1 GLU E 114 30.303 −34.771 −82.148 1.00 100.33 MOL2 OATOM 8501 OE2 GLU E 114 31.859 −33.793 −83.369 1.00 93.70 MOL2 O ATOM8502 C GLU E 114 34.872 −35.904 −80.088 1.00 66.76 MOL2 C ATOM 8503 OGLU E 114 35.710 −36.679 −80.542 1.00 69.93 MOL2 O ATOM 8504 N LYS E 11533.911 −36.282 −79.260 1.00 61.81 MOL2 N ATOM 8505 CA LYS E 115 33.806−37.653 −78.787 1.00 60.98 MOL2 C ATOM 8506 CB LYS E 115 33.812 −37.650−77.262 1.00 58.52 MOL2 C ATOM 8507 CG LYS E 115 34.286 −38.916 −76.6201.00 61.92 MOL2 C ATOM 8508 CD LYS E 115 34.557 −38.667 −75.152 1.0067.44 MOL2 C ATOM 8509 CE LYS E 115 35.260 −39.837 −74.498 1.00 75.96MOL2 C ATOM 8510 NZ LYS E 115 35.543 −39.532 −73.069 1.00 84.28 MOL2 NATOM 8511 C LYS E 115 32.515 −38.261 −79.306 1.00 59.27 MOL2 C ATOM 8512O LYS E 115 31.439 −37.736 −79.061 1.00 66.71 MOL2 O ATOM 8513 N VAL E116 32.605 −39.359 −80.041 1.00 56.90 MOL2 N ATOM 8514 CA VAL E 11631.392 −39.972 −80.556 1.00 53.33 MOL2 C ATOM 8515 CB VAL E 116 31.273−39.843 −82.094 1.00 51.59 MOL2 C ATOM 8516 CG1 VAL E 116 32.630 −39.693−82.723 1.00 53.36 MOL2 C ATOM 8517 CG2 VAL E 116 30.569 −41.056 −82.6521.00 52.36 MOL2 C ATOM 8518 C VAL E 116 31.274 −41.422 −80.164 1.0052.05 MOL2 C ATOM 8519 O VAL E 116 32.259 −42.155 −80.144 1.00 49.32MOL2 O ATOM 8520 N LEU E 117 30.050 −41.819 −79.837 1.00 55.22 MOL2 NATOM 8521 CA LEU E 117 29.759 −43.183 −79.410 1.00 54.66 MOL2 C ATOM8522 CB LEU E 117 28.731 −43.149 −78.263 1.00 55.56 MOL2 C ATOM 8523 CGLEU E 117 28.243 −44.328 −77.403 1.00 52.46 MOL2 C ATOM 8524 CD1 LEU E117 26.836 −44.720 −77.799 1.00 48.83 MOL2 C ATOM 8525 CD2 LEU E 11729.198 −45.482 −77.503 1.00 61.71 MOL2 C ATOM 8526 C LEU E 117 29.211−43.905 −80.620 1.00 51.02 MOL2 C ATOM 8527 O LEU E 117 28.190 −43.497−81.183 1.00 51.27 MOL2 O ATOM 8528 N VAL E 118 29.901 −44.959 −81.0421.00 43.55 MOL2 N ATOM 8529 CA VAL E 118 29.430 −45.695 −82.201 1.0043.29 MOL2 C ATOM 8530 CB VAL E 118 30.409 −45.609 −83.389 1.00 34.40MOL2 C ATOM 8531 CG1 VAL E 118 31.719 −45.019 −82.944 1.00 33.59 MOL2 CATOM 8532 CG2 VAL E 118 30.587 −46.987 −83.997 1.00 28.61 MOL2 C ATOM8533 C VAL E 118 29.075 −47.154 −81.976 1.00 41.49 MOL2 C ATOM 8534 OVAL E 118 29.663 −47.859 −81.164 1.00 43.98 MOL2 O ATOM 8535 N THR E 11928.069 −47.593 −82.703 1.00 38.79 MOL2 N ATOM 8536 CA THR E 119 27.639−48.950 −82.596 1.00 43.76 MOL2 C ATOM 8537 CB THR E 119 26.170 −49.081−82.858 1.00 47.34 MOL2 C ATOM 8538 OG1 THR E 119 25.448 −48.479 −81.7801.00 54.24 MOL2 O ATOM 8539 CG2 THR E 119 25.796 −50.541 −82.985 1.0048.29 MOL2 C ATOM 8540 C THR E 119 28.386 −49.696 −83.658 1.00 50.94MOL2 C ATOM 8541 O THR E 119 28.091 −49.579 −84.847 1.00 56.95 MOL2 OATOM 8542 N VAL E 120 29.368 −50.466 −83.219 1.00 53.83 MOL2 N ATOM 8543CA VAL E 120 30.201 −51.243 −84.116 1.00 49.09 MOL2 C ATOM 8544 CB VAL E120 31.428 −51.728 −83.387 1.00 49.53 MOL2 C ATOM 8545 CG1 VAL E 12032.415 −52.247 −84.370 1.00 58.28 MOL2 C ATOM 8546 CG2 VAL E 120 32.014−50.597 −82.566 1.00 52.75 MOL2 C ATOM 8547 C VAL E 120 29.490 −52.453−84.701 1.00 46.16 MOL2 C ATOM 8548 O VAL E 120 29.819 −52.906 −85.7961.00 49.10 MOL2 O ATOM 8549 N GLY E 121 28.518 −52.979 −83.970 1.0044.37 MOL2 N ATOM 8550 CA GLY E 121 27.789 −54.136 −84.457 1.00 46.49MOL2 C ATOM 8551 C GLY E 121 26.955 −54.812 −83.382 1.00 48.38 MOL2 CATOM 8552 O GLY E 121 26.834 −54.312 −82.263 1.00 53.22 MOL2 O ATOM 8553N CYS E 122 26.396 −55.967 −83.709 1.00 40.67 MOL2 N ATOM 8554 CA CYS E122 25.561 −56.680 −82.765 1.00 42.06 MOL2 C ATOM 8555 C CYS E 12226.093 −58.047 −82.405 1.00 43.02 MOL2 C ATOM 8556 O CYS E 122 26.796−58.667 −83.175 1.00 45.04 MOL2 O ATOM 8557 CB CYS E 122 24.168 −56.806−83.356 1.00 44.10 MOL2 C ATOM 8558 SG CYS E 122 23.574 −55.152 −83.7681.00 48.47 MOL2 S ATOM 8559 N THR E 123 25.757 −58.507 −81.211 1.0046.59 MOL2 N ATOM 8560 CA THR E 123 26.184 −59.811 −80.753 1.00 44.87MOL2 C ATOM 8561 CB THR E 123 27.307 −59.719 −79.694 1.00 41.29 MOL2 CATOM 8562 OG1 THR E 123 27.780 −61.036 −79.403 1.00 47.66 MOL2 O ATOM8563 CG2 THR E 123 26.798 −59.090 −78.402 1.00 33.38 MOL2 C ATOM 8564 CTHR E 123 24.958 −60.436 −80.130 1.00 47.20 MOL2 C ATOM 8565 O THR E 12324.136 −59.735 −79.543 1.00 38.36 MOL2 O ATOM 8566 N CYS E 124 24.829−61.748 −80.270 1.00 53.73 MOL2 N ATOM 8567 CA CYS E 124 23.684 −62.450−79.712 1.00 62.27 MOL2 C ATOM 8568 C CYS E 124 23.901 −62.856 −78.2561.00 61.78 MOL2 C ATOM 8569 O CYS E 124 24.773 −63.671 −77.959 1.0060.46 MOL2 O ATOM 8570 CB CYS E 124 23.379 −63.689 −80.548 1.00 70.88MOL2 C ATOM 8571 SG CYS E 124 22.062 −64.702 −79.822 1.00 84.89 MOL2 SATOM 8572 N VAL E 125 23.105 −62.292 −77.350 1.00 62.42 MOL2 N ATOM 8573CA VAL E 125 23.237 −62.611 −75.934 1.00 62.51 MOL2 C ATOM 8574 CB VAL E125 23.522 −61.368 −75.104 1.00 61.79 MOL2 C ATOM 8575 CG1 VAL E 12524.824 −60.773 −75.542 1.00 69.24 MOL2 C ATOM 8576 CG2 VAL E 125 22.394−60.367 −75.253 1.00 62.28 MOL2 C ATOM 8577 C VAL E 125 22.011 −63.278−75.342 1.00 62.04 MOL2 C ATOM 8578 O VAL E 125 20.911 −63.189 −75.8871.00 60.12 MOL2 O ATOM 8579 N THR E 126 22.224 −63.952 −74.219 1.0060.85 MOL2 N ATOM 8580 CA THR E 126 21.167 −64.641 −73.509 1.00 63.22MOL2 C ATOM 8581 CB THR E 126 21.598 −66.086 −73.111 1.00 66.38 MOL2 CATOM 8582 OG1 THR E 126 20.792 −66.548 −72.021 1.00 70.91 MOL2 O ATOM8583 CG2 THR E 126 23.061 −66.131 −72.710 1.00 66.04 MOL2 C ATOM 8584 CTHR E 126 20.868 −63.820 −72.270 1.00 61.55 MOL2 C ATOM 8585 O THR E 12621.759 −63.546 −71.472 1.00 60.05 MOL2 O ATOM 8586 N PRO E 127 19.603−63.407 −72.100 1.00 63.20 MOL2 N ATOM 8587 CD PRO E 127 18.407 −63.909−72.793 1.00 63.34 MOL2 C ATOM 8588 CA PRO E 127 19.227 −62.604 −70.9361.00 65.60 MOL2 C ATOM 8589 CB PRO E 127 17.716 −62.508 −71.059 1.0064.20 MOL2 C ATOM 8590 CG PRO E 127 17.365 −63.811 −71.718 1.00 67.87MOL2 C ATOM 8591 C PRO E 127 19.658 −63.289 −69.666 1.00 69.28 MOL2 CATOM 8592 O PRO E 127 19.838 −64.505 −69.650 1.00 69.92 MOL2 O ATOM 8593N VAL E 128 19.853 −62.499 −68.618 1.00 73.88 MOL2 N ATOM 8594 CA VAL E128 20.257 −63.017 −67.315 1.00 81.61 MOL2 C ATOM 8595 CB VAL E 12820.750 −61.857 −66.399 1.00 74.28 MOL2 C ATOM 8596 CG1 VAL E 128 21.333−62.389 −65.117 1.00 69.48 MOL2 C ATOM 8597 CG2 VAL E 128 21.774 −61.034−67.125 1.00 75.99 MOL2 C ATOM 8598 C VAL E 128 19.015 −63.665 −66.6931.00 90.59 MOL2 C ATOM 8599 O VAL E 128 18.207 −62.983 −66.067 1.0093.36 MOL2 O ATOM 8600 N ILE E 129 18.844 −64.970 −66.877 1.00 100.93MOL2 N ATOM 8601 CA ILE E 129 17.677 −65.654 −66.319 1.00 111.73 MOL2 CATOM 8602 CB ILE E 129 17.392 −66.995 −67.036 1.00 115.39 MOL2 C ATOM8603 CG2 ILE E 129 16.052 −67.555 −66.569 1.00 115.30 MOL2 C ATOM 8604CG1 ILE E 129 17.365 −66.795 −68.554 1.00 119.20 MOL2 C ATOM 8605 CD1ILE E 129 17.191 −68.094 −69.346 1.00 119.72 MOL2 C ATOM 8606 C ILE E129 17.936 −65.952 −64.851 1.00 118.58 MOL2 C ATOM 8607 O ILE E 12917.010 −66.180 −64.066 1.00 119.20 MOL2 O ATOM 8608 N HIS E 130 19.218−65.943 −64.505 1.00 127.54 MOL2 N ATOM 8609 CA HIS E 130 19.681 −66.209−63.152 1.00 134.90 MOL2 C ATOM 8610 CB HIS E 130 21.217 −66.270 −63.1531.00 140.06 MOL2 C ATOM 8611 CG HIS E 130 21.805 −66.572 −64.503 1.00142.96 MOL2 C ATOM 8612 CD2 HIS E 130 22.751 −65.927 −65.228 1.00 143.29MOL2 C ATOM 8613 ND1 HIS E 130 21.389 −67.634 −65.280 1.00 142.37 MOL2 NATOM 8614 CE1 HIS E 130 22.048 −67.627 −66.425 1.00 141.96 MOL2 C ATOM8615 NE2 HIS E 130 22.881 −66.601 −66.419 1.00 143.30 MOL2 N ATOM 8616 CHIS E 130 19.170 −65.099 −62.234 1.00 135.23 MOL2 C ATOM 8617 O HIS E130 19.423 −63.919 −62.469 1.00 131.96 MOL2 O ATOM 8618 N HIS E 13118.443 −65.490 −61.192 1.00 139.05 MOL2 N ATOM 8619 CA HIS E 131 17.866−64.539 −60.244 1.00 143.24 MOL2 C ATOM 8620 CB HIS E 131 17.216 −65.302−59.078 1.00 145.79 MOL2 C ATOM 8621 CG HIS E 131 15.724 −65.174 −59.0301.00 149.44 MOL2 C ATOM 8622 CD2 HIS E 131 14.901 −64.673 −58.076 1.00151.04 MOL2 C ATOM 8623 ND1 HIS E 131 14.906 −65.581 −60.063 1.00 149.84MOL2 N ATOM 8624 CE1 HIS E 131 13.646 −65.336 −59.749 1.00 150.96 MOL2 CATOM 8625 NE2 HIS E 131 13.615 −64.785 −58.548 1.00 152.08 MOL2 N ATOM8626 C HIS E 131 18.797 −63.445 −59.688 1.00 141.97 MOL2 C ATOM 8627 OHIS E 131 19.808 −63.071 −60.302 1.00 136.76 MOL2 O ATOM 8628 N VAL E132 18.426 −62.935 −58.516 1.00 141.68 MOL2 N ATOM 8629 CA VAL E 13219.171 −61.878 −57.839 1.00 142.44 MOL2 C ATOM 8630 CB VAL E 132 18.212−60.982 −57.024 1.00 140.65 MOL2 C ATOM 8631 CG1 VAL E 132 18.942−59.736 −56.533 1.00 136.17 MOL2 C ATOM 8632 CG2 VAL E 132 16.999−60.624 −57.869 1.00 138.71 MOL2 C ATOM 8633 C VAL E 132 20.238 −62.424−56.886 1.00 143.76 MOL2 C ATOM 8634 O VAL E 132 19.918 −63.128 −55.9241.00 141.93 MOL2 O ATOM 8635 N GLN E 133 21.502 −62.093 −57.152 1.00145.86 MOL2 N ATOM 8636 CA GLN E 133 22.609 −62.542 −56.303 1.00 148.52MOL2 C ATOM 8637 CB GLN E 133 23.952 −62.350 −57.032 1.00 144.77 MOL2 CATOM 8638 CG GLN E 133 25.105 −63.232 −56.523 1.00 141.17 MOL2 C ATOM8639 CD GLN E 133 25.532 −62.927 −55.086 1.00 139.96 MOL2 C ATOM 8640OE1 GLN E 133 25.939 −61.802 −54.766 1.00 136.60 MOL2 O ATOM 8641 NE2GLN E 133 25.447 −63.934 −54.217 1.00 133.66 MOL2 N ATOM 8642 C GLN E133 22.597 −61.738 −54.987 1.00 151.27 MOL2 C ATOM 8643 O GLN E 13323.612 −61.068 −54.674 1.00 152.40 MOL2 O ATOM 8644 OXT GLN E 133 21.560−61.783 −54.281 1.00 153.34 MOL2 O ATOM 8645 CB ALA G 1 6.918 −80.524−18.660 1.00 91.84 MOL3 C ATOM 8646 C ALA G 1 7.127 −79.369 −16.435 1.0091.18 MOL3 C ATOM 8647 O ALA G 1 6.816 −79.460 −15.244 1.00 95.13 MOL3 OATOM 8648 N ALA G 1 5.398 −78.657 −18.062 1.00 92.12 MOL3 N ATOM 8649 CAALA G 1 6.157 −79.816 −17.524 1.00 93.07 MOL3 C ATOM 8650 N ILE G 28.294 −78.876 −16.837 1.00 84.94 MOL3 N ATOM 8651 CA ILE G 2 9.285−78.450 −15.863 1.00 79.05 MOL3 C ATOM 8652 CB ILE G 2 10.438 −77.677−16.498 1.00 76.63 MOL3 C ATOM 8653 CG2 ILE G 2 11.472 −77.343 −15.4301.00 72.92 MOL3 C ATOM 8654 CG1 ILE G 2 11.081 −78.519 −17.602 1.0077.29 MOL3 C ATOM 8655 CD1 ILE G 2 12.396 −77.976 −18.127 1.00 73.60MOL3 C ATOM 8656 C ILE G 2 8.649 −77.579 −14.815 1.00 77.42 MOL3 C ATOM8657 O ILE G 2 8.068 −76.549 −15.135 1.00 75.41 MOL3 O ATOM 8658 N GLN G3 8.745 −78.008 −13.562 1.00 78.74 MOL3 N ATOM 8659 CA GLN G 3 8.166−77.244 −12.469 1.00 84.91 MOL3 C ATOM 8660 CB GLN G 3 7.195 −78.100−11.649 1.00 95.45 MOL3 C ATOM 8661 CG GLN G 3 5.769 −78.049 −12.1841.00 107.19 MOL3 C ATOM 8662 CD GLN G 3 4.794 −78.847 −11.350 1.00114.04 MOL3 C ATOM 8663 OE1 GLN G 3 4.835 −80.079 −11.331 1.00 119.23MOL3 O ATOM 8664 NE2 GLN G 3 3.907 −78.147 −10.647 1.00 117.58 MOL3 NATOM 8665 C GLN G 3 9.218 −76.624 −11.573 1.00 81.14 MOL3 C ATOM 8666 OGLN G 3 10.046 −77.302 −10.971 1.00 81.04 MOL3 O ATOM 8667 N LEU G 49.174 −75.306 −11.499 1.00 78.11 MOL3 N ATOM 8668 CA LEU G 4 10.122−74.565 −10.698 1.00 77.58 MOL3 C ATOM 8669 CB LEU G 4 10.384 −73.206−11.354 1.00 85.28 MOL3 C ATOM 8670 CG LEU G 4 11.170 −73.309 −12.6671.00 86.95 MOL3 C ATOM 8671 CD1 LEU G 4 10.859 −72.141 −13.580 1.0087.02 MOL3 C ATOM 8672 CD2 LEU G 4 12.650 −73.373 −12.342 1.00 89.44MOL3 C ATOM 8673 C LEU G 4 9.612 −74.405 −9.278 1.00 73.04 MOL3 C ATOM8674 O LEU G 4 8.464 −74.046 −9.047 1.00 72.43 MOL3 O ATOM 8675 N THR G5 10.492 −74.653 −8.323 1.00 69.68 MOL3 N ATOM 8676 CA THR G 5 10.120−74.580 −6.928 1.00 68.17 MOL3 C ATOM 8677 CB THR G 5 10.227 −75.975−6.317 1.00 74.80 MOL3 C ATOM 8678 OG1 THR G 5 9.836 −76.945 −7.302 1.0070.27 MOL3 O ATOM 8679 CG2 THR G 5 9.334 −76.094 −5.091 1.00 75.75 MOL3C ATOM 8680 C THR G 5 10.975 −73.611 −6.115 1.00 63.96 MOL3 C ATOM 8681O THR G 5 11.994 −73.984 −5.547 1.00 61.45 MOL3 O ATOM 8682 N GLN G 610.554 −72.362 −6.056 1.00 63.21 MOL3 N ATOM 8683 CA GLN G 6 11.283−71.367 −5.296 1.00 67.36 MOL3 C ATOM 8684 CB GLN G 6 10.688 −69.991−5.509 1.00 71.70 MOL3 C ATOM 8685 CG GLN G 6 10.886 −69.442 −6.880 1.0070.50 MOL3 C ATOM 8686 CD GLN G 6 10.194 −68.131 −7.015 1.00 72.30 MOL3C ATOM 8687 OE1 GLN G 6 10.414 −67.219 −6.218 1.00 65.58 MOL3 O ATOM8688 NE2 GLN G 6 9.335 −68.021 −8.015 1.00 78.17 MOL3 N ATOM 8689 C GLNG 6 11.207 −71.698 −3.827 1.00 68.24 MOL3 C ATOM 8690 O GLN G 6 10.354−72.465 −3.416 1.00 72.35 MOL3 O ATOM 8691 N SER G 7 12.079 −71.081−3.036 1.00 70.04 MOL3 N ATOM 8692 CA SER G 7 12.131 −71.326 −1.602 1.0067.82 MOL3 C ATOM 8693 CB SER G 7 12.558 −72.763 −1.365 1.00 76.29 MOL3C ATOM 8694 OG SER G 7 13.694 −73.063 −2.167 1.00 77.00 MOL3 O ATOM 8695C SER G 7 13.146 −70.412 −0.953 1.00 65.88 MOL3 C ATOM 8696 O SER G 714.267 −70.284 −1.432 1.00 70.74 MOL3 O ATOM 8697 N PRO G 8 12.771−69.757 0.145 1.00 64.24 MOL3 N ATOM 8698 CD PRO G 8 13.676 −68.9110.941 1.00 64.90 MOL3 C ATOM 8699 CA PRO G 8 11.457 −69.843 0.775 1.0068.98 MOL3 C ATOM 8700 CB PRO G 8 11.643 −69.027 2.054 1.00 69.10 MOL3 CATOM 8701 CG PRO G 8 12.716 −68.038 1.681 1.00 61.90 MOL3 C ATOM 8702 CPRO G 8 10.374 −69.260 −0.117 1.00 71.03 MOL3 C ATOM 8703 O PRO G 810.672 −68.720 −1.175 1.00 77.14 MOL3 O ATOM 8704 N SER G 9 9.121−69.378 0.310 1.00 70.20 MOL3 N ATOM 8705 CA SER G 9 8.011 −68.826−0.450 1.00 67.43 MOL3 C ATOM 8706 CB SER G 9 6.728 −69.630 −0.215 1.0068.38 MOL3 C ATOM 8707 OG SER G 9 6.810 −70.906 −0.830 1.00 72.35 MOL3 OATOM 8708 C SER G 9 7.845 −67.417 0.066 1.00 62.26 MOL3 C ATOM 8709 OSER G 9 7.467 −66.508 −0.664 1.00 67.60 MOL3 O ATOM 8710 N SER G 108.137 −67.246 1.342 1.00 54.62 MOL3 N ATOM 8711 CA SER G 10 8.053−65.941 1.957 1.00 57.69 MOL3 C ATOM 8712 CB SER G 10 6.832 −65.8212.860 1.00 62.57 MOL3 C ATOM 8713 OG SER G 10 6.836 −64.555 3.507 1.0066.90 MOL3 O ATOM 8714 C SER G 10 9.309 −65.799 2.780 1.00 57.88 MOL3 CATOM 8715 O SER G 10 10.072 −66.754 2.905 1.00 55.54 MOL3 O ATOM 8716 NLEU G 11 9.512 −64.625 3.365 1.00 56.79 MOL3 N ATOM 8717 CA LEU G 1110.727 −64.386 4.125 1.00 58.29 MOL3 C ATOM 8718 CB LEU G 11 11.905−64.647 3.192 1.00 54.73 MOL3 C ATOM 8719 CG LEU G 11 13.362 −64.3193.495 1.00 60.88 MOL3 C ATOM 8720 CD1 LEU G 11 14.124 −64.570 2.206 1.0058.03 MOL3 C ATOM 8721 CD2 LEU G 11 13.567 −62.880 3.951 1.00 57.82 MOL3C ATOM 8722 C LEU G 11 10.771 −62.942 4.610 1.00 62.20 MOL3 C ATOM 8723O LEU G 11 10.544 −62.014 3.829 1.00 62.91 MOL3 O ATOM 8724 N SER G 1211.068 −62.736 5.886 1.00 62.61 MOL3 N ATOM 8725 CA SER G 12 11.144−61.373 6.367 1.00 67.16 MOL3 C ATOM 8726 CB SER G 12 10.332 −61.2067.641 1.00 73.51 MOL3 C ATOM 8727 OG SER G 12 9.834 −59.880 7.724 1.0082.94 MOL3 O ATOM 8728 C SER G 12 12.602 −61.041 6.612 1.00 68.56 MOL3 CATOM 8729 O SER G 12 13.360 −61.877 7.096 1.00 73.77 MOL3 O ATOM 8730 NALA G 13 13.001 −59.830 6.242 1.00 67.01 MOL3 N ATOM 8731 CA ALA G 1314.378 −59.401 6.429 1.00 65.17 MOL3 C ATOM 8732 CB ALA G 13 15.219−59.770 5.229 1.00 62.47 MOL3 C ATOM 8733 C ALA G 13 14.404 −57.9066.653 1.00 67.37 MOL3 C ATOM 8734 O ALA G 13 13.370 −57.240 6.537 1.0066.94 MOL3 O ATOM 8735 N SER G 14 15.581 −57.386 7.000 1.00 70.46 MOL3 NATOM 8736 CA SER G 14 15.736 −55.954 7.247 1.00 70.22 MOL3 C ATOM 8737CB SER G 14 16.066 −55.692 8.730 1.00 72.47 MOL3 C ATOM 8738 OG SER G 1416.879 −56.718 9.296 1.00 81.85 MOL3 O ATOM 8739 C SER G 14 16.779−55.330 6.315 1.00 64.57 MOL3 C ATOM 8740 O SER G 14 17.643 −56.0235.764 1.00 56.15 MOL3 O ATOM 8741 N VAL G 15 16.649 −54.025 6.106 1.0061.18 MOL3 N ATOM 8742 CA VAL G 15 17.553 −53.280 5.248 1.00 61.26 MOL3C ATOM 8743 CB VAL G 15 17.486 −51.785 5.572 1.00 62.15 MOL3 C ATOM 8744CG1 VAL G 15 16.808 −51.037 4.467 1.00 62.23 MOL3 C ATOM 8745 CG2 VAL G15 16.734 −51.584 6.889 1.00 68.77 MOL3 C ATOM 8746 C VAL G 15 18.982−53.735 5.494 1.00 65.74 MOL3 C ATOM 8747 O VAL G 15 19.430 −53.8036.643 1.00 66.93 MOL3 O ATOM 8748 N GLY G 16 19.700 −54.048 4.423 1.0066.48 MOL3 N ATOM 8749 CA GLY G 16 21.077 −54.468 4.578 1.00 63.83 MOL3C ATOM 8750 C GLY G 16 21.273 −55.964 4.519 1.00 62.52 MOL3 C ATOM 8751O GLY G 16 22.256 −56.437 3.950 1.00 69.68 MOL3 O ATOM 8752 N ASP G 1720.348 −56.716 5.096 1.00 57.89 MOL3 N ATOM 8753 CA ASP G 17 20.473−58.169 5.087 1.00 64.37 MOL3 C ATOM 8754 CB ASP G 17 19.154 −58.8175.558 1.00 78.26 MOL3 C ATOM 8755 CG ASP G 17 18.807 −58.490 7.027 1.0085.13 MOL3 C ATOM 8756 OD1 ASP G 17 17.831 −59.081 7.553 1.00 81.20 MOL3O ATOM 8757 OD2 ASP G 17 19.499 −57.649 7.650 1.00 88.96 MOL3 O ATOM8758 C ASP G 17 20.876 −58.723 3.706 1.00 58.61 MOL3 C ATOM 8759 O ASP G17 20.709 −58.066 2.687 1.00 57.95 MOL3 O ATOM 8760 N ARG G 18 21.437−59.924 3.684 1.00 56.36 MOL3 N ATOM 8761 CA ARG G 18 21.837 −60.5462.431 1.00 60.67 MOL3 C ATOM 8762 CB ARG G 18 23.250 −61.136 2.540 1.0063.66 MOL3 C ATOM 8763 CG ARG G 18 23.639 −62.143 1.444 1.00 62.43 MOL3C ATOM 8764 CD ARG G 18 25.081 −61.935 0.971 1.00 69.18 MOL3 C ATOM 8765NE ARG G 18 25.821 −63.190 0.872 1.00 82.75 MOL3 N ATOM 8766 CZ ARG G 1825.481 −64.218 0.093 1.00 93.44 MOL3 C ATOM 8767 NH1 ARG G 18 24.402−64.152 −0.674 1.00 100.10 MOL3 N ATOM 8768 NH2 ARG G 18 26.218 −65.3250.089 1.00 99.11 MOL3 N ATOM 8769 C ARG G 18 20.833 −61.642 2.119 1.0064.02 MOL3 C ATOM 8770 O ARG G 18 21.063 −62.815 2.420 1.00 68.60 MOL3 OATOM 8771 N VAL G 19 19.715 −61.248 1.517 1.00 62.61 MOL3 N ATOM 8772 CAVAL G 19 18.658 −62.187 1.170 1.00 58.01 MOL3 C ATOM 8773 CB VAL G 1917.400 −61.444 0.737 1.00 61.47 MOL3 C ATOM 8774 CG1 VAL G 19 16.274−62.444 0.537 1.00 62.19 MOL3 C ATOM 8775 CG2 VAL G 19 17.040 −60.3641.775 1.00 52.69 MOL3 C ATOM 8776 C VAL G 19 19.069 −63.145 0.057 1.0055.13 MOL3 C ATOM 8777 O VAL G 19 19.856 −62.795 −0.815 1.00 58.93 MOL3O ATOM 8778 N THR G 20 18.532 −64.355 0.086 1.00 51.84 MOL3 N ATOM 8779CA THR G 20 18.872 −65.341 −0.924 1.00 54.45 MOL3 C ATOM 8780 CB THR G20 20.012 −66.222 −0.441 1.00 55.50 MOL3 C ATOM 8781 OG1 THR G 20 21.151−65.402 −0.164 1.00 55.70 MOL3 O ATOM 8782 CG2 THR G 20 20.348 −67.288−1.488 1.00 51.26 MOL3 C ATOM 8783 C THR G 20 17.689 −66.237 −1.258 1.0057.97 MOL3 C ATOM 8784 O THR G 20 17.187 −66.967 −0.398 1.00 65.17 MOL3O ATOM 8785 N ILE G 21 17.248 −66.183 −2.510 1.00 54.89 MOL3 N ATOM 8786CA ILE G 21 16.118 −66.990 −2.963 1.00 53.86 MOL3 C ATOM 8787 CB ILE G21 15.148 −66.196 −3.876 1.00 49.43 MOL3 C ATOM 8788 CG2 ILE G 21 13.760−66.820 −3.803 1.00 49.67 MOL3 C ATOM 8789 CG1 ILE G 21 15.096 −64.724−3.466 1.00 36.38 MOL3 C ATOM 8790 CD1 ILE G 21 14.613 −64.517 −2.1051.00 25.30 MOL3 C ATOM 8791 C ILE G 21 16.655 −68.138 −3.795 1.00 54.41MOL3 C ATOM 8792 O ILE G 21 17.677 −67.997 −4.453 1.00 59.19 MOL3 O ATOM8793 N THR G 22 15.965 −69.267 −3.786 1.00 51.44 MOL3 N ATOM 8794 CA THRG 22 16.423 −70.396 −4.565 1.00 53.57 MOL3 C ATOM 8795 CB THR G 2216.757 −71.541 −3.683 1.00 50.35 MOL3 C ATOM 8796 OG1 THR G 22 17.501−71.057 −2.564 1.00 57.43 MOL3 O ATOM 8797 CG2 THR G 22 17.575 −72.545−4.442 1.00 54.90 MOL3 C ATOM 8798 C THR G 22 15.323 −70.821 −5.492 1.0061.94 MOL3 C ATOM 8799 O THR G 22 14.166 −70.484 −5.261 1.00 71.19 MOL3O ATOM 8800 N CYS G 23 15.667 −71.576 −6.529 1.00 63.01 MOL3 N ATOM 8801CA CYS G 23 14.667 −72.003 −7.487 1.00 69.22 MOL3 C ATOM 8802 C CYS G 2315.061 −73.319 −8.108 1.00 73.52 MOL3 C ATOM 8803 O CYS G 23 15.566−73.342 −9.219 1.00 76.20 MOL3 O ATOM 8804 CB CYS G 23 14.532 −70.935−8.570 1.00 72.22 MOL3 C ATOM 8805 SG CYS G 23 13.397 −71.266 −9.9641.00 89.83 MOL3 S ATOM 8806 N ARG G 24 14.840 −74.415 −7.390 1.00 81.91MOL3 N ATOM 8807 CA ARG G 24 15.165 −75.740 −7.914 1.00 84.07 MOL3 CATOM 8808 CB ARG G 24 15.182 −76.773 −6.790 1.00 90.97 MOL3 C ATOM 8809CG ARG G 24 16.189 −76.490 −5.693 1.00 101.39 MOL3 C ATOM 8810 CD ARG G24 16.499 −77.754 −4.906 1.00 113.69 MOL3 C ATOM 8811 NE ARG G 24 17.186−78.751 −5.731 1.00 124.74 MOL3 N ATOM 8812 CZ ARG G 24 16.599 −79.545−6.627 1.00 128.78 MOL3 C ATOM 8813 NH1 ARG G 24 15.288 −79.483 −6.8331.00 129.96 MOL3 N ATOM 8814 NH2 ARG G 24 17.331 −80.405 −7.329 1.00129.99 MOL3 N ATOM 8815 C ARG G 24 14.122 −76.122 −8.969 1.00 79.77 MOL3C ATOM 8816 O ARG G 24 12.957 −75.732 −8.873 1.00 75.21 MOL3 O ATOM 8817N ALA G 25 14.531 −76.883 −9.976 1.00 76.22 MOL3 N ATOM 8818 CA ALA G 2513.595 −77.248 −11.023 1.00 79.16 MOL3 C ATOM 8819 CB ALA G 25 13.835−76.383 −12.226 1.00 78.01 MOL3 C ATOM 8820 C ALA G 25 13.581 −78.715−11.440 1.00 84.40 MOL3 C ATOM 8821 O ALA G 25 14.625 −79.356 −11.5621.00 83.67 MOL3 O ATOM 8822 N ASP G 26 12.367 −79.214 −11.678 1.00 89.59MOL3 N ATOM 8823 CA ASP G 26 12.110 −80.591 −12.088 1.00 93.62 MOL3 CATOM 8824 CB ASP G 26 10.775 −80.669 −12.843 1.00 101.41 MOL3 C ATOM8825 CG ASP G 26 10.495 −82.060 −13.411 1.00 111.44 MOL3 C ATOM 8826 OD1ASP G 26 9.615 −82.184 −14.292 1.00 113.51 MOL3 O ATOM 8827 OD2 ASP G 2611.147 −83.034 −12.975 1.00 119.43 MOL3 O ATOM 8828 C ASP G 26 13.216−81.194 −12.947 1.00 93.33 MOL3 C ATOM 8829 O ASP G 26 13.965 −82.052−12.486 1.00 92.24 MOL3 O ATOM 8830 N GLU G 27 13.308 −80.746 −14.1931.00 95.09 MOL3 N ATOM 8831 CA GLU G 27 14.305 −81.246 −15.131 1.00100.09 MOL3 C ATOM 8832 CB GLU G 27 13.644 −81.419 −16.503 1.00 101.62MOL3 C ATOM 8833 CG GLU G 27 14.321 −82.407 −17.439 1.00 110.10 MOL3 CATOM 8834 CD GLU G 27 13.460 −82.729 −18.653 1.00 113.57 MOL3 C ATOM8835 OE1 GLU G 27 13.874 −83.559 −19.493 1.00 117.99 MOL3 O ATOM 8836OE2 GLU G 27 12.362 −82.149 −18.768 1.00 112.12 MOL3 O ATOM 8837 C GLU G27 15.491 −80.272 −15.204 1.00 102.38 MOL3 C ATOM 8838 O GLU G 27 15.726−79.506 −14.261 1.00 102.53 MOL3 O ATOM 8839 N SER G 28 16.241 −80.307−16.309 1.00 102.36 MOL3 N ATOM 8840 CA SER G 28 17.393 −79.415 −16.4861.00 98.93 MOL3 C ATOM 8841 CB SER G 28 18.624 −80.183 −16.975 1.00102.05 MOL3 C ATOM 8842 OG SER G 28 19.726 −79.304 −17.163 1.00 94.87MOL3 O ATOM 8843 C SER G 28 17.085 −78.312 −17.482 1.00 94.49 MOL3 CATOM 8844 O SER G 28 16.481 −78.562 −18.524 1.00 96.23 MOL3 O ATOM 8845N VAL G 29 17.508 −77.094 −17.167 1.00 88.27 MOL3 N ATOM 8846 CA VAL G29 17.258 −75.968 −18.055 1.00 83.41 MOL3 C ATOM 8847 CB VAL G 29 16.364−74.915 −17.382 1.00 80.02 MOL3 C ATOM 8848 CG1 VAL G 29 14.928 −75.363−17.436 1.00 81.55 MOL3 C ATOM 8849 CG2 VAL G 29 16.790 −74.709 −15.9431.00 71.21 MOL3 C ATOM 8850 C VAL G 29 18.514 −75.275 −18.574 1.00 84.10MOL3 C ATOM 8851 O VAL G 29 18.437 −74.486 −19.508 1.00 87.75 MOL3 OATOM 8852 N THR G 30 19.663 −75.565 −17.968 1.00 81.73 MOL3 N ATOM 8853CA THR G 30 20.943 −74.976 −18.374 1.00 76.67 MOL3 C ATOM 8854 CB THR G30 21.601 −75.705 −19.555 1.00 83.22 MOL3 C ATOM 8855 OG1 THR G 3020.730 −75.655 −20.701 1.00 75.07 MOL3 O ATOM 8856 CG2 THR G 30 21.946−77.140 −19.177 1.00 94.30 MOL3 C ATOM 8857 C THR G 30 20.896 −73.540−18.824 1.00 74.85 MOL3 C ATOM 8858 O THR G 30 20.438 −73.240 −19.9331.00 77.39 MOL3 O ATOM 8859 N THR G 31 21.405 −72.656 −17.981 1.00 68.57MOL3 N ATOM 8860 CA THR G 31 21.475 −71.231 −18.307 1.00 60.87 MOL3 CATOM 8861 CB THR G 31 22.583 −70.972 −19.361 1.00 54.59 MOL3 C ATOM 8862OG1 THR G 31 22.166 −71.434 −20.654 1.00 39.54 MOL3 O ATOM 8863 CG2 THRG 31 23.847 −71.704 −18.963 1.00 51.28 MOL3 C ATOM 8864 C THR G 3120.186 −70.510 −18.754 1.00 57.16 MOL3 C ATOM 8865 O THR G 31 20.115−69.275 −18.671 1.00 52.70 MOL3 O ATOM 8866 N LEU G 32 19.174 −71.249−19.215 1.00 44.36 MOL3 N ATOM 8867 CA LEU G 32 17.950 −70.589 −19.6171.00 41.23 MOL3 C ATOM 8868 CB LEU G 32 17.260 −71.357 −20.743 1.0035.40 MOL3 C ATOM 8869 CG LEU G 32 17.627 −70.692 −22.077 1.00 37.32MOL3 C ATOM 8870 CD1 LEU G 32 19.134 −70.555 −22.091 1.00 36.21 MOL3 CATOM 8871 CD2 LEU G 32 17.120 −71.459 −23.306 1.00 25.34 MOL3 C ATOM8872 C LEU G 32 16.990 −70.320 −18.463 1.00 42.25 MOL3 C ATOM 8873 O LEUG 32 15.784 −70.530 −18.573 1.00 47.72 MOL3 O ATOM 8874 N MET G 3317.542 −69.830 −17.359 1.00 39.62 MOL3 N ATOM 8875 CA MET G 33 16.760−69.493 −16.189 1.00 43.39 MOL3 C ATOM 8876 CB MET G 33 17.405 −70.114−14.953 1.00 44.25 MOL3 C ATOM 8877 CG MET G 33 16.639 −69.918 −13.6431.00 63.10 MOL3 C ATOM 8878 SD MET G 33 14.963 −70.591 −13.654 1.0080.75 MOL3 S ATOM 8879 CE MET G 33 15.180 −72.028 −14.730 1.00 76.36MOL3 C ATOM 8880 C MET G 33 16.792 −67.967 −16.116 1.00 48.11 MOL3 CATOM 8881 O MET G 33 17.819 −67.360 −16.400 1.00 55.26 MOL3 O ATOM 8882N HIS G 34 15.674 −67.346 −15.748 1.00 46.45 MOL3 N ATOM 8883 CA HIS G34 15.601 −65.896 −15.665 1.00 43.17 MOL3 C ATOM 8884 CB HIS G 34 14.799−65.393 −16.850 1.00 40.62 MOL3 C ATOM 8885 CG HIS G 34 15.128 −66.084−18.132 1.00 37.95 MOL3 C ATOM 8886 CD2 HIS G 34 14.343 −66.733 −19.0231.00 45.85 MOL3 C ATOM 8887 ND1 HIS G 34 16.404 −66.127 −18.646 1.0043.97 MOL3 N ATOM 8888 CE1 HIS G 34 16.391 −66.768 −19.802 1.00 43.56MOL3 C ATOM 8889 NE2 HIS G 34 15.152 −67.146 −20.055 1.00 44.43 MOL3 NATOM 8890 C HIS G 34 14.922 −65.461 −14.363 1.00 45.87 MOL3 C ATOM 8891O HIS G 34 14.261 −66.267 −13.724 1.00 51.04 MOL3 O ATOM 8892 N TRP G 3515.080 −64.198 −13.967 1.00 45.08 MOL3 N ATOM 8893 CA TRP G 35 14.441−63.712 −12.745 1.00 45.19 MOL3 C ATOM 8894 CB TRP G 35 15.456 −63.497−11.619 1.00 48.06 MOL3 C ATOM 8895 CG TRP G 35 16.068 −64.764 −11.1091.00 56.84 MOL3 C ATOM 8896 CD2 TRP G 35 15.642 −65.535 −9.977 1.0060.98 MOL3 C ATOM 8897 CE2 TRP G 35 16.460 −66.675 −9.918 1.00 62.91MOL3 C ATOM 8898 CE3 TRP G 35 14.646 −65.374 −9.013 1.00 62.34 MOL3 CATOM 8899 CD1 TRP G 35 17.098 −65.450 −11.666 1.00 61.49 MOL3 C ATOM8900 NE1 TRP G 35 17.343 −66.599 −10.961 1.00 64.24 MOL3 N ATOM 8901 CZ2TRP G 35 16.314 −67.650 −8.935 1.00 61.50 MOL3 C ATOM 8902 CZ3 TRP G 3514.505 −66.342 −8.041 1.00 65.72 MOL3 C ATOM 8903 CH2 TRP G 35 15.335−67.467 −8.009 1.00 60.76 MOL3 C ATOM 8904 C TRP G 35 13.697 −62.421−12.989 1.00 46.63 MOL3 C ATOM 8905 O TRP G 35 14.182 −61.542 −13.7011.00 55.62 MOL3 O ATOM 8906 N TYR G 36 12.517 −62.318 −12.388 1.00 39.63MOL3 N ATOM 8907 CA TYR G 36 11.669 −61.145 −12.521 1.00 40.41 MOL3 CATOM 8908 CB TYR G 36 10.385 −61.506 −13.229 1.00 31.06 MOL3 C ATOM 8909CG TYR G 36 10.585 −61.970 −14.621 1.00 30.83 MOL3 C ATOM 8910 CD1 TYR G36 10.547 −61.073 −15.664 1.00 32.67 MOL3 C ATOM 8911 CE1 TYR G 3610.677 −61.501 −16.959 1.00 40.12 MOL3 C ATOM 8912 CD2 TYR G 36 10.772−63.315 −14.905 1.00 28.80 MOL3 C ATOM 8913 CE2 TYR G 36 10.906 −63.755−16.191 1.00 25.97 MOL3 C ATOM 8914 CZ TYR G 36 10.855 −62.843 −17.2171.00 36.74 MOL3 C ATOM 8915 OH TYR G 36 10.967 −63.246 −18.526 1.0047.56 MOL3 O ATOM 8916 C TYR G 36 11.307 −60.652 −11.141 1.00 41.90 MOL3C ATOM 8917 O TYR G 36 11.337 −61.415 −10.187 1.00 42.96 MOL3 O ATOM8918 N GLN G 37 10.939 −59.382 −11.044 1.00 39.72 MOL3 N ATOM 8919 CAGLN G 37 10.559 −58.806 −9.775 1.00 38.19 MOL3 C ATOM 8920 CB GLN G 3711.556 −57.735 −9.379 1.00 35.77 MOL3 C ATOM 8921 CG GLN G 37 11.420−57.270 −7.963 1.00 39.74 MOL3 C ATOM 8922 CD GLN G 37 11.640 −55.792−7.837 1.00 44.01 MOL3 C ATOM 8923 OE1 GLN G 37 12.251 −55.330 −6.8721.00 49.05 MOL3 O ATOM 8924 NE2 GLN G 37 11.127 −55.027 −8.807 1.0035.77 MOL3 N ATOM 8925 C GLN G 37 9.194 −58.179 −9.974 1.00 43.08 MOL3 CATOM 8926 O GLN G 37 8.907 −57.649 −11.042 1.00 49.64 MOL3 O ATOM 8927 NGLN G 38 8.343 −58.235 −8.956 1.00 42.91 MOL3 N ATOM 8928 CA GLN G 387.011 −57.652 −9.071 1.00 40.05 MOL3 C ATOM 8929 CB GLN G 38 5.996−58.730 −9.415 1.00 32.88 MOL3 C ATOM 8930 CG GLN G 38 4.633 −58.160−9.709 1.00 40.34 MOL3 C ATOM 8931 CD GLN G 38 3.682 −59.179 −10.2781.00 38.95 MOL3 C ATOM 8932 OE1 GLN G 38 2.708 −58.839 −10.942 1.0037.89 MOL3 O ATOM 8933 NE2 GLN G 38 3.954 −60.437 −10.011 1.00 48.71MOL3 N ATOM 8934 C GLN G 38 6.568 −56.985 −7.784 1.00 40.19 MOL3 C ATOM8935 O GLN G 38 6.453 −57.637 −6.760 1.00 42.15 MOL3 O ATOM 8936 N LYS G39 6.316 −55.687 −7.820 1.00 42.89 MOL3 N ATOM 8937 CA LYS G 39 5.873−55.016 −6.608 1.00 42.63 MOL3 C ATOM 8938 CB LYS G 39 6.290 −53.544−6.623 1.00 42.81 MOL3 C ATOM 8939 CG LYS G 39 7.790 −53.298 −6.780 1.0048.90 MOL3 C ATOM 8940 CD LYS G 39 8.493 −53.118 −5.449 1.00 57.46 MOL3C ATOM 8941 CE LYS G 39 9.485 −51.945 −5.486 1.00 65.19 MOL3 C ATOM 8942NZ LYS G 39 10.555 −52.099 −6.529 1.00 76.82 MOL3 N ATOM 8943 C LYS G 394.364 −55.152 −6.635 1.00 42.94 MOL3 C ATOM 8944 O LYS G 39 3.811−55.538 −7.645 1.00 44.17 MOL3 O ATOM 8945 N PRO G 40 3.677 −54.848−5.524 1.00 50.24 MOL3 N ATOM 8946 CD PRO G 40 4.209 −54.444 −4.213 1.0057.50 MOL3 C ATOM 8947 CA PRO G 40 2.216 −54.955 −5.472 1.00 48.69 MOL3C ATOM 8948 CB PRO G 40 1.885 −54.630 −4.022 1.00 46.58 MOL3 C ATOM 8949CG PRO G 40 3.138 −54.939 −3.284 1.00 56.38 MOL3 C ATOM 8950 C PRO G 401.549 −53.956 −6.391 1.00 51.16 MOL3 C ATOM 8951 O PRO G 40 1.821−52.762 −6.307 1.00 51.34 MOL3 O ATOM 8952 N GLY G 41 0.678 −54.445−7.266 1.00 54.84 MOL3 N ATOM 8953 CA GLY G 41 −0.040 −53.557 −8.1591.00 59.57 MOL3 C ATOM 8954 C GLY G 41 0.581 −53.345 −9.516 1.00 61.10MOL3 C ATOM 8955 O GLY G 41 −0.127 −53.227 −10.519 1.00 66.90 MOL3 OATOM 8956 N LYS G 42 1.903 −53.281 −9.552 1.00 57.43 MOL3 N ATOM 8957 CALYS G 42 2.614 −53.087 −10.800 1.00 60.62 MOL3 C ATOM 8958 CB LYS G 423.954 −52.407 −10.501 1.00 67.78 MOL3 C ATOM 8959 CG LYS G 42 3.805−51.137 −9.658 1.00 79.31 MOL3 C ATOM 8960 CD LYS G 42 2.668 −50.248−10.189 1.00 90.76 MOL3 C ATOM 8961 CE LYS G 42 2.420 −49.007 −9.3211.00 96.21 MOL3 C ATOM 8962 NZ LYS G 42 3.581 −48.062 −9.275 1.00 99.49MOL3 N ATOM 8963 C LYS G 42 2.813 −54.442 −11.513 1.00 58.76 MOL3 C ATOM8964 O LYS G 42 2.462 −55.490 −10.968 1.00 56.71 MOL3 O ATOM 8965 N ALAG 43 3.357 −54.430 −12.728 1.00 54.02 MOL3 N ATOM 8966 CA ALA G 43 3.566−55.671 −13.455 1.00 42.73 MOL3 C ATOM 8967 CB ALA G 43 3.259 −55.471−14.894 1.00 43.30 MOL3 C ATOM 8968 C ALA G 43 4.986 −56.164 −13.3051.00 44.91 MOL3 C ATOM 8969 O ALA G 43 5.878 −55.417 −12.918 1.00 48.07MOL3 O ATOM 8970 N PRO G 44 5.216 −57.447 −13.603 1.00 45.65 MOL3 N ATOM8971 CD PRO G 44 4.228 −58.435 −14.084 1.00 44.36 MOL3 C ATOM 8972 CAPRO G 44 6.552 −58.037 −13.504 1.00 42.93 MOL3 C ATOM 8973 CB PRO G 446.403 −59.338 −14.293 1.00 42.13 MOL3 C ATOM 8974 CG PRO G 44 4.989−59.738 −14.004 1.00 38.67 MOL3 C ATOM 8975 C PRO G 44 7.587 −57.112−14.130 1.00 42.72 MOL3 C ATOM 8976 O PRO G 44 7.255 −56.267 −14.9531.00 53.64 MOL3 O ATOM 8977 N LYS G 45 8.840 −57.280 −13.750 1.00 41.95MOL3 N ATOM 8978 CA LYS G 45 9.925 −56.471 −14.287 1.00 39.52 MOL3 CATOM 8979 CB LYS G 45 10.189 −55.278 −13.359 1.00 42.39 MOL3 C ATOM 8980CG LYS G 45 11.621 −54.772 −13.365 1.00 66.59 MOL3 C ATOM 8981 CD LYS G45 12.081 −54.429 −14.790 1.00 87.61 MOL3 C ATOM 8982 CE LYS G 45 13.540−53.949 −14.837 1.00 89.77 MOL3 C ATOM 8983 NZ LYS G 45 13.975 −53.701−16.246 1.00 86.88 MOL3 N ATOM 8984 C LYS G 45 11.133 −57.390 −14.3571.00 34.88 MOL3 C ATOM 8985 O LYS G 45 11.492 −58.022 −13.376 1.00 34.54MOL3 O ATOM 8986 N LEU G 46 11.751 −57.487 −15.521 1.00 31.84 MOL3 NATOM 8987 CA LEU G 46 12.904 −58.361 −15.652 1.00 30.83 MOL3 C ATOM 8988CB LEU G 46 13.305 −58.450 −17.114 1.00 26.43 MOL3 C ATOM 8989 CG LEU G46 14.584 −59.179 −17.456 1.00 23.79 MOL3 C ATOM 8990 CD1 LEU G 4614.722 −60.416 −16.599 1.00 28.71 MOL3 C ATOM 8991 CD2 LEU G 46 14.546−59.528 −18.922 1.00 19.57 MOL3 C ATOM 8992 C LEU G 46 14.079 −57.907−14.796 1.00 31.59 MOL3 C ATOM 8993 O LEU G 46 14.435 −56.729 −14.7761.00 33.27 MOL3 O ATOM 8994 N LEU G 47 14.662 −58.860 −14.078 1.00 30.77MOL3 N ATOM 8995 CA LEU G 47 15.796 −58.612 −13.201 1.00 32.12 MOL3 CATOM 8996 CB LEU G 47 15.580 −59.279 −11.851 1.00 31.97 MOL3 C ATOM 8997CG LEU G 47 15.187 −58.328 −10.735 1.00 41.78 MOL3 C ATOM 8998 CD1 LEU G47 16.168 −58.404 −9.585 1.00 39.67 MOL3 C ATOM 8999 CD2 LEU G 47 15.156−56.934 −11.312 1.00 46.47 MOL3 C ATOM 9000 C LEU G 47 17.060 −59.180−13.780 1.00 33.13 MOL3 C ATOM 9001 O LEU G 47 18.051 −58.482 −13.9441.00 39.23 MOL3 O ATOM 9002 N ILE G 48 17.015 −60.464 −14.103 1.00 31.38MOL3 N ATOM 9003 CA ILE G 48 18.190 −61.137 −14.610 1.00 32.41 MOL3 CATOM 9004 CB ILE G 48 18.884 −61.860 −13.460 1.00 31.26 MOL3 C ATOM 9005CG2 ILE G 48 20.001 −62.712 −13.982 1.00 31.43 MOL3 C ATOM 9006 CG1 ILEG 48 19.368 −60.831 −12.436 1.00 35.51 MOL3 C ATOM 9007 CD1 ILE G 4819.885 −61.416 −11.154 1.00 36.86 MOL3 C ATOM 9008 C ILE G 48 17.858−62.137 −15.681 1.00 34.00 MOL3 C ATOM 9009 O ILE G 48 16.918 −62.895−15.535 1.00 38.04 MOL3 O ATOM 9010 N TYR G 49 18.625 −62.132 −16.7611.00 38.94 MOL3 N ATOM 9011 CA TYR G 49 18.401 −63.084 −17.845 1.0045.76 MOL3 C ATOM 9012 CB TYR G 49 18.189 −62.371 −19.195 1.00 49.55MOL3 C ATOM 9013 CG TYR G 49 19.338 −61.497 −19.673 1.00 49.70 MOL3 CATOM 9014 CD1 TYR G 49 19.602 −60.275 −19.073 1.00 49.20 MOL3 C ATOM9015 CE1 TYR G 49 20.610 −59.448 −19.544 1.00 50.05 MOL3 C ATOM 9016 CD2TYR G 49 20.125 −61.873 −20.758 1.00 44.58 MOL3 C ATOM 9017 CE2 TYR G 4921.134 −61.050 −21.239 1.00 42.55 MOL3 C ATOM 9018 CZ TYR G 49 21.370−59.838 −20.627 1.00 49.78 MOL3 C ATOM 9019 OH TYR G 49 22.354 −58.994−21.089 1.00 50.96 MOL3 O ATOM 9020 C TYR G 49 19.581 −64.043 −17.9471.00 48.45 MOL3 C ATOM 9021 O TYR G 49 20.657 −63.789 −17.382 1.00 47.87MOL3 O ATOM 9022 N LEU G 50 19.374 −65.138 −18.676 1.00 44.95 MOL3 NATOM 9023 CA LEU G 50 20.395 −66.154 −18.837 1.00 42.62 MOL3 C ATOM 9024CB LEU G 50 21.295 −65.799 −20.014 1.00 43.27 MOL3 C ATOM 9025 CG LEU G50 20.880 −66.606 −21.246 1.00 43.57 MOL3 C ATOM 9026 CD1 LEU G 5019.410 −66.884 −21.160 1.00 40.55 MOL3 C ATOM 9027 CD2 LEU G 50 21.226−65.874 −22.524 1.00 39.39 MOL3 C ATOM 9028 C LEU G 50 21.209 −66.363−17.562 1.00 45.78 MOL3 C ATOM 9029 O LEU G 50 22.406 −66.100 −17.5151.00 48.05 MOL3 O ATOM 9030 N VAL G 51 20.521 −66.812 −16.520 1.00 46.34MOL3 N ATOM 9031 CA VAL G 51 21.125 −67.119 −15.230 1.00 48.58 MOL3 CATOM 9032 CB VAL G 51 22.234 −68.170 −15.363 1.00 49.60 MOL3 C ATOM 9033CG1 VAL G 51 22.955 −68.321 −14.026 1.00 44.74 MOL3 C ATOM 9034 CG2 VALG 51 21.658 −69.485 −15.813 1.00 48.42 MOL3 C ATOM 9035 C VAL G 5121.741 −66.035 −14.376 1.00 51.00 MOL3 C ATOM 9036 O VAL G 51 21.434−65.920 −13.178 1.00 50.83 MOL3 O ATOM 9037 N SER G 52 22.631 −65.251−14.964 1.00 49.31 MOL3 N ATOM 9038 CA SER G 52 23.310 −64.269 −14.1451.00 55.39 MOL3 C ATOM 9039 CB SER G 52 24.646 −64.865 −13.711 1.0057.96 MOL3 C ATOM 9040 OG SER G 52 25.195 −64.106 −12.655 1.00 72.85MOL3 O ATOM 9041 C SER G 52 23.538 −62.877 −14.717 1.00 50.82 MOL3 CATOM 9042 O SER G 52 24.233 −62.065 −14.113 1.00 48.84 MOL3 O ATOM 9043N ASN G 53 22.951 −62.587 −15.866 1.00 47.12 MOL3 N ATOM 9044 CA ASN G53 23.139 −61.279 −16.450 1.00 44.83 MOL3 C ATOM 9045 CB ASN G 53 23.211−61.412 −17.967 1.00 47.38 MOL3 C ATOM 9046 CG ASN G 53 24.324 −62.346−18.419 1.00 53.95 MOL3 C ATOM 9047 OD1 ASN G 53 24.100 −63.542 −18.6101.00 59.31 MOL3 O ATOM 9048 ND2 ASN G 53 25.535 −61.804 −18.582 1.0050.66 MOL3 N ATOM 9049 C ASN G 53 22.016 −60.324 −16.042 1.00 45.87 MOL3C ATOM 9050 O ASN G 53 20.834 −60.680 −16.116 1.00 44.59 MOL3 O ATOM9051 N ARG G 54 22.384 −59.116 −15.607 1.00 40.72 MOL3 N ATOM 9052 CAARG G 54 21.401 −58.116 −15.194 1.00 42.15 MOL3 C ATOM 9053 CB ARG G 5421.982 −57.171 −14.143 1.00 41.21 MOL3 C ATOM 9054 CG ARG G 54 22.235−57.764 −12.792 1.00 52.19 MOL3 C ATOM 9055 CD ARG G 54 23.690 −58.127−12.653 1.00 68.42 MOL3 C ATOM 9056 NE ARG G 54 24.412 −57.203 −11.7911.00 74.48 MOL3 N ATOM 9057 CZ ARG G 54 24.268 −55.883 −11.820 1.0084.27 MOL3 C ATOM 9058 NH1 ARG G 54 23.421 −55.307 −12.663 1.00 85.29MOL3 N ATOM 9059 NH2 ARG G 54 24.995 −55.133 −11.011 1.00 91.76 MOL3 NATOM 9060 C ARG G 54 20.898 −57.234 −16.326 1.00 47.47 MOL3 C ATOM 9061O ARG G 54 21.649 −56.906 −17.246 1.00 53.93 MOL3 O ATOM 9062 N GLU G 5519.633 −56.828 −16.244 1.00 50.13 MOL3 N ATOM 9063 CA GLU G 55 19.054−55.935 −17.239 1.00 55.45 MOL3 C ATOM 9064 CB GLU G 55 17.545 −55.810−17.019 1.00 58.42 MOL3 C ATOM 9065 CG GLU G 55 16.674 −56.365 −18.1411.00 62.39 MOL3 C ATOM 9066 CD GLU G 55 16.850 −55.610 −19.449 1.0068.28 MOL3 C ATOM 9067 OE1 GLU G 55 15.834 −55.391 −20.141 1.00 64.08MOL3 O ATOM 9068 OE2 GLU G 55 18.001 −55.240 −19.792 1.00 73.31 MOL3 OATOM 9069 C GLU G 55 19.731 −54.588 −17.012 1.00 58.68 MOL3 C ATOM 9070O GLU G 55 20.348 −54.371 −15.968 1.00 60.53 MOL3 O ATOM 9071 N SER G 5619.617 −53.686 −17.976 1.00 59.87 MOL3 N ATOM 9072 CA SER G 56 20.242−52.377 −17.870 1.00 62.94 MOL3 C ATOM 9073 CB SER G 56 19.701 −51.480−18.975 1.00 65.70 MOL3 C ATOM 9074 OG SER G 56 19.658 −52.200 −20.2011.00 79.30 MOL3 O ATOM 9075 C SER G 56 20.061 −51.700 −16.505 1.00 63.43MOL3 C ATOM 9076 O SER G 56 21.020 −51.523 −15.749 1.00 68.59 MOL3 OATOM 9077 N GLY G 57 18.832 −51.334 −16.180 1.00 57.93 MOL3 N ATOM 9078CA GLY G 57 18.589 −50.655 −14.922 1.00 53.96 MOL3 C ATOM 9079 C GLY G57 18.896 −51.412 −13.648 1.00 52.63 MOL3 C ATOM 9080 O GLY G 57 19.326−50.819 −12.667 1.00 55.85 MOL3 O ATOM 9081 N VAL G 58 18.680 −52.720−13.648 1.00 52.62 MOL3 N ATOM 9082 CA VAL G 58 18.915 −53.521 −12.4511.00 49.03 MOL3 C ATOM 9083 CB VAL G 58 18.962 −55.017 −12.758 1.0047.64 MOL3 C ATOM 9084 CG1 VAL G 58 18.743 −55.793 −11.486 1.00 47.52MOL3 C ATOM 9085 CG2 VAL G 58 17.929 −55.379 −13.787 1.00 47.12 MOL3 CATOM 9086 C VAL G 58 20.201 −53.172 −11.711 1.00 52.13 MOL3 C ATOM 9087O VAL G 58 21.308 −53.207 −12.281 1.00 51.96 MOL3 O ATOM 9088 N PRO G 5920.061 −52.826 −10.421 1.00 48.32 MOL3 N ATOM 9089 CD PRO G 59 18.752−52.511 −9.826 1.00 51.53 MOL3 C ATOM 9090 CA PRO G 59 21.125 −52.453−9.500 1.00 47.77 MOL3 C ATOM 9091 CB PRO G 59 20.388 −52.257 −8.1921.00 41.55 MOL3 C ATOM 9092 CG PRO G 59 19.141 −51.633 −8.640 1.00 49.21MOL3 C ATOM 9093 C PRO G 59 22.244 −53.451 −9.383 1.00 51.58 MOL3 C ATOM9094 O PRO G 59 22.138 −54.607 −9.778 1.00 54.15 MOL3 O ATOM 9095 N SERG 60 23.323 −52.964 −8.805 1.00 62.14 MOL3 N ATOM 9096 CA SER G 6024.530 −53.725 −8.621 1.00 68.95 MOL3 C ATOM 9097 CB SER G 60 25.622−52.755 −8.125 1.00 81.46 MOL3 C ATOM 9098 OG SER G 60 25.507 −51.455−8.744 1.00 80.56 MOL3 O ATOM 9099 C SER G 60 24.339 −54.919 −7.672 1.0068.86 MOL3 C ATOM 9100 O SER G 60 24.908 −55.988 −7.908 1.00 69.31 MOL3O ATOM 9101 N ARG G 61 23.518 −54.749 −6.629 1.00 65.79 MOL3 N ATOM 9102CA ARG G 61 23.286 −55.816 −5.634 1.00 62.21 MOL3 C ATOM 9103 CB ARG G61 22.516 −55.260 −4.424 1.00 60.42 MOL3 C ATOM 9104 CG ARG G 61 21.300−54.400 −4.754 1.00 60.78 MOL3 C ATOM 9105 CD ARG G 61 20.636 −53.836−3.486 1.00 53.34 MOL3 C ATOM 9106 NE ARG G 61 19.376 −53.161 −3.7831.00 45.70 MOL3 N ATOM 9107 CZ ARG G 61 19.286 −51.988 −4.395 1.00 47.19MOL3 C ATOM 9108 NH1 ARG G 61 20.387 −51.361 −4.762 1.00 57.68 MOL3 NATOM 9109 NH2 ARG G 61 18.101 −51.451 −4.664 1.00 47.81 MOL3 N ATOM 9110C ARG G 61 22.630 −57.132 −6.094 1.00 60.08 MOL3 C ATOM 9111 O ARG G 6122.955 −58.206 −5.586 1.00 60.15 MOL3 O ATOM 9112 N PHE G 62 21.721−57.068 −7.052 1.00 53.77 MOL3 N ATOM 9113 CA PHE G 62 21.077 −58.280−7.517 1.00 53.49 MOL3 C ATOM 9114 CB PHE G 62 19.879 −57.901 −8.3771.00 52.45 MOL3 C ATOM 9115 CG PHE G 62 18.787 −57.226 −7.622 1.00 44.28MOL3 C ATOM 9116 CD1 PHE G 62 17.984 −57.944 −6.759 1.00 49.58 MOL3 CATOM 9117 CD2 PHE G 62 18.563 −55.879 −7.768 1.00 45.93 MOL3 C ATOM 9118CE1 PHE G 62 16.973 −57.328 −6.054 1.00 52.92 MOL3 C ATOM 9119 CE2 PHE G62 17.552 −55.252 −7.065 1.00 53.51 MOL3 C ATOM 9120 CZ PHE G 62 16.756−55.980 −6.206 1.00 54.67 MOL3 C ATOM 9121 C PHE G 62 22.042 −59.161−8.313 1.00 54.06 MOL3 C ATOM 9122 O PHE G 62 22.699 −58.676 −9.230 1.0057.70 MOL3 O ATOM 9123 N SER G 63 22.122 −60.448 −7.979 1.00 52.56 MOL3N ATOM 9124 CA SER G 63 23.018 −61.363 −8.693 1.00 54.21 MOL3 C ATOM9125 CB SER G 63 24.372 −61.412 −7.989 1.00 55.60 MOL3 C ATOM 9126 OGSER G 63 24.221 −61.114 −6.612 1.00 52.29 MOL3 O ATOM 9127 C SER G 6322.465 −62.775 −8.827 1.00 53.10 MOL3 C ATOM 9128 O SER G 63 22.010−63.364 −7.862 1.00 55.14 MOL3 O ATOM 9129 N GLY G 64 22.515 −63.321−10.033 1.00 57.59 MOL3 N ATOM 9130 CA GLY G 64 22.005 −64.663 −10.2561.00 62.03 MOL3 C ATOM 9131 C GLY G 64 23.120 −65.678 −10.150 1.00 65.50MOL3 C ATOM 9132 O GLY G 64 24.254 −65.299 −9.872 1.00 66.87 MOL3 O ATOM9133 N SER G 65 22.811 −66.957 −10.364 1.00 68.23 MOL3 N ATOM 9134 CASER G 65 23.821 −68.018 −10.285 1.00 67.23 MOL3 C ATOM 9135 CB SER G 6524.641 −67.882 −8.993 1.00 68.42 MOL3 C ATOM 9136 OG SER G 65 23.874−68.137 −7.828 1.00 62.79 MOL3 O ATOM 9137 C SER G 65 23.197 −69.406−10.335 1.00 67.16 MOL3 C ATOM 9138 O SER G 65 22.237 −69.679 −9.6181.00 72.98 MOL3 O ATOM 9139 N GLY G 66 23.734 −70.290 −11.166 1.00 62.84MOL3 N ATOM 9140 CA GLY G 66 23.155 −71.615 −11.226 1.00 68.73 MOL3 CATOM 9141 C GLY G 66 23.649 −72.558 −12.302 1.00 76.81 MOL3 C ATOM 9142O GLY G 66 24.269 −72.153 −13.290 1.00 73.43 MOL3 O ATOM 9143 N SER G 6723.354 −73.840 −12.095 1.00 85.49 MOL3 N ATOM 9144 CA SER G 67 23.755−74.893 −13.021 1.00 90.60 MOL3 C ATOM 9145 CB SER G 67 23.982 −76.214−12.270 1.00 90.93 MOL3 C ATOM 9146 OG SER G 67 22.826 −76.617 −11.5591.00 90.02 MOL3 O ATOM 9147 C SER G 67 22.714 −75.089 −14.110 1.00 91.68MOL3 C ATOM 9148 O SER G 67 22.721 −74.380 −15.122 1.00 94.33 MOL3 OATOM 9149 N GLY G 68 21.825 −76.054 −13.893 1.00 90.54 MOL3 N ATOM 9150CA GLY G 68 20.782 −76.346 −14.858 1.00 89.44 MOL3 C ATOM 9151 C GLY G68 19.638 −77.073 −14.187 1.00 88.47 MOL3 C ATOM 9152 O GLY G 68 18.751−77.608 −14.849 1.00 84.62 MOL3 O ATOM 9153 N THR G 69 19.674 −77.087−12.857 1.00 90.20 MOL3 N ATOM 9154 CA THR G 69 18.653 −77.739 −12.0511.00 92.56 MOL3 C ATOM 9155 CB THR G 69 19.085 −79.139 −11.627 1.0098.74 MOL3 C ATOM 9156 OG1 THR G 69 18.174 −79.633 −10.638 1.00 108.30MOL3 O ATOM 9157 CG2 THR G 69 20.491 −79.108 −11.042 1.00 103.92 MOL3 CATOM 9158 C THR G 69 18.380 −76.929 −10.794 1.00 88.90 MOL3 C ATOM 9159O THR G 69 17.254 −76.887 −10.304 1.00 91.65 MOL3 O ATOM 9160 N ASP G 7019.421 −76.300 −10.264 1.00 85.97 MOL3 N ATOM 9161 CA ASP G 70 19.279−75.469 −9.072 1.00 88.69 MOL3 C ATOM 9162 CB ASP G 70 20.038 −76.059−7.870 1.00 96.68 MOL3 C ATOM 9163 CG ASP G 70 20.738 −77.366 −8.1961.00 105.12 MOL3 C ATOM 9164 OD1 ASP G 70 21.579 −77.390 −9.121 1.00108.66 MOL3 O ATOM 9165 OD2 ASP G 70 20.451 −78.374 −7.519 1.00 111.25MOL3 O ATOM 9166 C ASP G 70 19.821 −74.078 −9.369 1.00 83.52 MOL3 C ATOM9167 O ASP G 70 20.894 −73.928 −9.954 1.00 85.96 MOL3 O ATOM 9168 N PHEG 71 19.078 −73.057 −8.970 1.00 73.77 MOL3 N ATOM 9169 CA PHE G 7119.514 −71.692 −9.198 1.00 62.74 MOL3 C ATOM 9170 CB PHE G 71 18.786−71.103 −10.387 1.00 58.07 MOL3 C ATOM 9171 CG PHE G 71 18.984 −71.871−11.644 1.00 60.46 MOL3 C ATOM 9172 CD1 PHE G 71 20.165 −71.771 −12.3491.00 64.47 MOL3 C ATOM 9173 CD2 PHE G 71 17.995 −72.702 −12.121 1.0063.44 MOL3 C ATOM 9174 CE1 PHE G 71 20.357 −72.483 −13.508 1.00 61.95MOL3 C ATOM 9175 CE2 PHE G 71 18.178 −73.417 −13.278 1.00 62.01 MOL3 CATOM 9176 CZ PHE G 71 19.362 −73.306 −13.972 1.00 65.54 MOL3 C ATOM 9177C PHE G 71 19.216 −70.865 −7.979 1.00 60.82 MOL3 C ATOM 9178 O PHE G 7118.389 −71.237 −7.146 1.00 68.29 MOL3 O ATOM 9179 N THR G 72 19.889−69.738 −7.858 1.00 54.02 MOL3 N ATOM 9180 CA THR G 72 19.628 −68.893−6.718 1.00 56.28 MOL3 C ATOM 9181 CB THR G 72 20.530 −69.243 −5.5101.00 58.97 MOL3 C ATOM 9182 OG1 THR G 72 21.429 −68.154 −5.267 1.0063.51 MOL3 O ATOM 9183 CG2 THR G 72 21.314 −70.536 −5.757 1.00 52.40MOL3 C ATOM 9184 C THR G 72 19.808 −67.429 −7.064 1.00 54.68 MOL3 C ATOM9185 O THR G 72 20.738 −67.047 −7.762 1.00 57.65 MOL3 O ATOM 9186 N LEUG 73 18.877 −66.614 −6.602 1.00 51.57 MOL3 N ATOM 9187 CA LEU G 7318.949 −65.197 −6.844 1.00 50.13 MOL3 C ATOM 9188 CB LEU G 73 17.587−64.671 −7.285 1.00 49.88 MOL3 C ATOM 9189 CG LEU G 73 17.396 −63.169−7.104 1.00 57.46 MOL3 C ATOM 9190 CD1 LEU G 73 18.479 −62.395 −7.8361.00 59.43 MOL3 C ATOM 9191 CD2 LEU G 73 16.024 −62.795 −7.606 1.0057.80 MOL3 C ATOM 9192 C LEU G 73 19.357 −64.646 −5.497 1.00 50.52 MOL3C ATOM 9193 O LEU G 73 18.968 −65.185 −4.466 1.00 56.98 MOL3 O ATOM 9194N THR G 74 20.161 −63.595 −5.482 1.00 50.75 MOL3 N ATOM 9195 CA THR G 7420.589 −63.057 −4.206 1.00 52.46 MOL3 C ATOM 9196 CB THR G 74 21.825−63.841 −3.655 1.00 56.91 MOL3 C ATOM 9197 OG1 THR G 74 22.632 −62.961−2.860 1.00 58.92 MOL3 O ATOM 9198 CG2 THR G 74 22.646 −64.466 −4.7931.00 49.58 MOL3 C ATOM 9199 C THR G 74 20.861 −61.562 −4.162 1.00 51.48MOL3 C ATOM 9200 O THR G 74 21.551 −60.997 −5.011 1.00 51.31 MOL3 O ATOM9201 N ILE G 75 20.299 −60.933 −3.142 1.00 50.98 MOL3 N ATOM 9202 CA ILEG 75 20.440 −59.509 −2.938 1.00 61.03 MOL3 C ATOM 9203 CB ILE G 7519.086 −58.888 −2.513 1.00 65.72 MOL3 C ATOM 9204 CG2 ILE G 75 19.144−57.369 −2.596 1.00 66.90 MOL3 C ATOM 9205 CG1 ILE G 75 17.976 −59.392−3.438 1.00 68.75 MOL3 C ATOM 9206 CD1 ILE G 75 16.610 −58.811 −3.1331.00 68.20 MOL3 C ATOM 9207 C ILE G 75 21.487 −59.256 −1.853 1.00 65.69MOL3 C ATOM 9208 O ILE G 75 21.226 −59.446 −0.664 1.00 65.40 MOL3 O ATOM9209 N SER G 76 22.669 −58.823 −2.286 1.00 67.38 MOL3 N ATOM 9210 CA SERG 76 23.792 −58.532 −1.404 1.00 67.37 MOL3 C ATOM 9211 CB SER G 7624.922 −57.899 −2.208 1.00 72.25 MOL3 C ATOM 9212 OG SER G 76 25.279−58.731 −3.291 1.00 86.18 MOL3 O ATOM 9213 C SER G 76 23.458 −57.609−0.243 1.00 65.06 MOL3 C ATOM 9214 O SER G 76 23.943 −57.801 0.872 1.0071.05 MOL3 O ATOM 9215 N SER G 77 22.649 −56.595 −0.495 1.00 56.07 MOL3N ATOM 9216 CA SER G 77 22.315 −55.678 0.571 1.00 57.30 MOL3 C ATOM 9217CB SER G 77 23.299 −54.518 0.600 1.00 57.18 MOL3 C ATOM 9218 OG SER G 7722.852 −53.526 1.511 1.00 64.33 MOL3 O ATOM 9219 C SER G 77 20.923−55.136 0.397 1.00 60.30 MOL3 C ATOM 9220 O SER G 77 20.737 −54.091−0.222 1.00 66.45 MOL3 O ATOM 9221 N LEU G 78 19.944 −55.828 0.972 1.0061.04 MOL3 N ATOM 9222 CA LEU G 78 18.545 −55.420 0.843 1.00 57.10 MOL3C ATOM 9223 CB LEU G 78 17.638 −56.148 1.837 1.00 59.14 MOL3 C ATOM 9224CG LEU G 78 16.232 −56.405 1.272 1.00 59.20 MOL3 C ATOM 9225 CD1 LEU G78 16.362 −57.395 0.137 1.00 62.71 MOL3 C ATOM 9226 CD2 LEU G 78 15.294−56.975 2.317 1.00 62.35 MOL3 C ATOM 9227 C LEU G 78 18.344 −53.9391.011 1.00 54.97 MOL3 C ATOM 9228 O LEU G 78 18.943 −53.308 1.876 1.0055.56 MOL3 O ATOM 9229 N GLN G 79 17.486 −53.394 0.163 1.00 56.22 MOL3 NATOM 9230 CA GLN G 79 17.183 −51.979 0.188 1.00 59.47 MOL3 C ATOM 9231CB GLN G 79 17.692 −51.311 −1.086 1.00 62.26 MOL3 C ATOM 9232 CG GLN G79 19.195 −51.202 −1.148 1.00 65.36 MOL3 C ATOM 9233 CD GLN G 79 19.748−50.412 0.018 1.00 73.04 MOL3 C ATOM 9234 OE1 GLN G 79 19.414 −49.2350.204 1.00 75.65 MOL3 O ATOM 9235 NE2 GLN G 79 20.597 −51.055 0.818 1.0072.21 MOL3 N ATOM 9236 C GLN G 79 15.687 −51.779 0.323 1.00 59.35 MOL3 CATOM 9237 O GLN G 79 14.897 −52.654 −0.017 1.00 58.67 MOL3 O ATOM 9238 NPRO G 80 15.279 −50.609 0.819 1.00 61.07 MOL3 N ATOM 9239 CD PRO G 8016.110 −49.428 1.105 1.00 57.69 MOL3 C ATOM 9240 CA PRO G 80 13.857−50.309 0.995 1.00 64.17 MOL3 C ATOM 9241 CB PRO G 80 13.852 −48.7961.192 1.00 64.30 MOL3 C ATOM 9242 CG PRO G 80 15.157 −48.552 1.880 1.0062.04 MOL3 C ATOM 9243 C PRO G 80 13.013 −50.740 −0.202 1.00 66.97 MOL3C ATOM 9244 O PRO G 80 12.004 −51.416 −0.054 1.00 72.11 MOL3 O ATOM 9245N GLU G 81 13.447 −50.358 −1.391 1.00 68.09 MOL3 N ATOM 9246 CA GLU G 8112.722 −50.671 −2.608 1.00 71.02 MOL3 C ATOM 9247 CB GLU G 81 13.141−49.691 −3.716 1.00 86.99 MOL3 C ATOM 9248 CG GLU G 81 14.665 −49.488−3.906 1.00 98.03 MOL3 C ATOM 9249 CD GLU G 81 15.341 −48.753 −2.7381.00 105.74 MOL3 C ATOM 9250 OE1 GLU G 81 14.685 −47.901 −2.091 1.00107.20 MOL3 O ATOM 9251 OE2 GLU G 81 16.538 −49.012 −2.480 1.00 106.18MOL3 O ATOM 9252 C GLU G 81 12.868 −52.094 −3.108 1.00 64.50 MOL3 C ATOM9253 O GLU G 81 12.366 −52.429 −4.174 1.00 65.83 MOL3 O ATOM 9254 N ASPG 82 13.557 −52.936 −2.358 1.00 58.56 MOL3 N ATOM 9255 CA ASP G 8213.730 −54.309 −2.812 1.00 60.36 MOL3 C ATOM 9256 CB ASP G 82 15.109−54.839 −2.426 1.00 67.23 MOL3 C ATOM 9257 CG ASP G 82 16.218 −54.123−3.140 1.00 71.60 MOL3 C ATOM 9258 OD1 ASP G 82 16.071 −53.888 −4.3611.00 75.55 MOL3 O ATOM 9259 OD2 ASP G 82 17.232 −53.804 −2.485 1.0072.12 MOL3 O ATOM 9260 C ASP G 82 12.657 −55.227 −2.252 1.00 56.97 MOL3C ATOM 9261 O ASP G 82 12.586 −56.418 −2.579 1.00 49.48 MOL3 O ATOM 9262N PHE G 83 11.811 −54.666 −1.399 1.00 57.41 MOL3 N ATOM 9263 CA PHE G 8310.740 −55.455 −0.810 1.00 54.23 MOL3 C ATOM 9264 CB PHE G 83 10.170−54.762 0.431 1.00 54.67 MOL3 C ATOM 9265 CG PHE G 83 11.083 −54.8181.615 1.00 55.87 MOL3 C ATOM 9266 CD1 PHE G 83 11.510 −53.658 2.235 1.0056.89 MOL3 C ATOM 9267 CD2 PHE G 83 11.538 −56.039 2.091 1.00 59.94 MOL3C ATOM 9268 CE1 PHE G 83 12.379 −53.715 3.308 1.00 63.08 MOL3 C ATOM9269 CE2 PHE G 83 12.404 −56.108 3.162 1.00 60.38 MOL3 C ATOM 9270 CZPHE G 83 12.828 −54.943 3.773 1.00 63.94 MOL3 C ATOM 9271 C PHE G 839.648 −55.680 −1.832 1.00 49.88 MOL3 C ATOM 9272 O PHE G 83 8.812−54.800 −2.093 1.00 52.08 MOL3 O ATOM 9273 N ALA G 84 9.675 −56.865−2.422 1.00 39.92 MOL3 N ATOM 9274 CA ALA G 84 8.693 −57.237 −3.427 1.0042.71 MOL3 C ATOM 9275 CB ALA G 84 9.042 −56.613 −4.764 1.00 47.88 MOL3C ATOM 9276 C ALA G 84 8.670 −58.743 −3.563 1.00 41.30 MOL3 C ATOM 9277O ALA G 84 9.245 −59.460 −2.761 1.00 47.67 MOL3 O ATOM 9278 N THR G 858.006 −59.231 −4.588 1.00 34.38 MOL3 N ATOM 9279 CA THR G 85 7.945−60.661 −4.786 1.00 36.94 MOL3 C ATOM 9280 CB THR G 85 6.519 −61.109−5.157 1.00 43.40 MOL3 C ATOM 9281 OG1 THR G 85 5.602 −60.720 −4.1191.00 40.46 MOL3 O ATOM 9282 CG2 THR G 85 6.478 −62.621 −5.370 1.00 42.50MOL3 C ATOM 9283 C THR G 85 8.871 −60.963 −5.935 1.00 36.36 MOL3 C ATOM9284 O THR G 85 8.993 −60.147 −6.839 1.00 46.03 MOL3 O ATOM 9285 N TYR G86 9.513 −62.126 −5.914 1.00 31.26 MOL3 N ATOM 9286 CA TYR G 86 10.442−62.491 −6.973 1.00 31.58 MOL3 C ATOM 9287 CB TYR G 86 11.853 −62.590−6.409 1.00 26.22 MOL3 C ATOM 9288 CG TYR G 86 12.354 −61.261 −5.9181.00 34.59 MOL3 C ATOM 9289 CD1 TYR G 86 12.060 −60.816 −4.637 1.0035.54 MOL3 C ATOM 9290 CE1 TYR G 86 12.448 −59.562 −4.205 1.00 30.13MOL3 C ATOM 9291 CD2 TYR G 86 13.057 −60.411 −6.755 1.00 35.99 MOL3 CATOM 9292 CE2 TYR G 86 13.445 −59.151 −6.322 1.00 42.17 MOL3 C ATOM 9293CZ TYR G 86 13.130 −58.738 −5.047 1.00 33.44 MOL3 C ATOM 9294 OH TYR G86 13.452 −57.478 −4.634 1.00 36.13 MOL3 O ATOM 9295 C TYR G 86 10.086−63.787 −7.646 1.00 32.93 MOL3 C ATOM 9296 O TYR G 86 9.800 −64.754−6.978 1.00 42.80 MOL3 O ATOM 9297 N TYR G 87 10.112 −63.816 −8.970 1.0034.25 MOL3 N ATOM 9298 CA TYR G 87 9.785 −65.035 −9.693 1.00 38.30 MOL3C ATOM 9299 CB TYR G 87 8.571 −64.824 −10.591 1.00 41.15 MOL3 C ATOM9300 CG TYR G 87 7.252 −64.592 −9.903 1.00 44.49 MOL3 C ATOM 9301 CD1TYR G 87 6.368 −65.628 −9.694 1.00 50.72 MOL3 C ATOM 9302 CE1 TYR G 875.127 −65.399 −9.142 1.00 56.99 MOL3 C ATOM 9303 CD2 TYR G 87 6.862−63.323 −9.530 1.00 48.02 MOL3 C ATOM 9304 CE2 TYR G 87 5.630 −63.087−8.977 1.00 53.20 MOL3 C ATOM 9305 CZ TYR G 87 4.763 −64.123 −8.784 1.0052.52 MOL3 C ATOM 9306 OH TYR G 87 3.528 −63.879 −8.226 1.00 54.41 MOL3O ATOM 9307 C TYR G 87 10.922 −65.495 −10.590 1.00 41.02 MOL3 C ATOM9308 O TYR G 87 11.599 −64.674 −11.201 1.00 46.26 MOL3 O ATOM 9309 N CYSG 88 11.125 −66.804 −10.674 1.00 38.26 MOL3 N ATOM 9310 CA CYS G 8812.130 −67.341 −11.563 1.00 42.99 MOL3 C ATOM 9311 C CYS G 88 11.368−67.897 −12.756 1.00 41.84 MOL3 C ATOM 9312 O CYS G 88 10.178 −68.150−12.654 1.00 46.96 MOL3 O ATOM 9313 CB CYS G 88 12.954 −68.416 −10.8641.00 57.83 MOL3 C ATOM 9314 SG CYS G 88 12.076 −69.701 −9.911 1.00 83.37MOL3 S ATOM 9315 N GLN G 89 12.018 −68.046 −13.902 1.00 38.75 MOL3 NATOM 9316 CA GLN G 89 11.324 −68.564 −15.075 1.00 43.83 MOL3 C ATOM 9317CB GLN G 89 10.688 −67.432 −15.895 1.00 40.77 MOL3 C ATOM 9318 CG GLN G89 10.243 −67.872 −17.308 1.00 44.08 MOL3 C ATOM 9319 CD GLN G 89 10.165−66.711 −18.290 1.00 44.65 MOL3 C ATOM 9320 OE1 GLN G 89 10.778 −65.681−18.072 1.00 46.53 MOL3 O ATOM 9321 NE2 GLN G 89 9.428 −66.882 −19.3821.00 45.67 MOL3 N ATOM 9322 C GLN G 89 12.290 −69.318 −15.958 1.00 50.40MOL3 C ATOM 9323 O GLN G 89 13.459 −68.950 −16.054 1.00 54.43 MOL3 OATOM 9324 N GLN G 90 11.798 −70.366 −16.611 1.00 51.12 MOL3 N ATOM 9325CA GLN G 90 12.631 −71.169 −17.491 1.00 53.88 MOL3 C ATOM 9326 CB GLN G90 12.610 −72.645 −17.053 1.00 54.93 MOL3 C ATOM 9327 CG GLN G 90 11.279−73.372 −17.270 1.00 60.36 MOL3 C ATOM 9328 CD GLN G 90 11.121 −73.903−18.687 1.00 65.13 MOL3 C ATOM 9329 OE1 GLN G 90 10.036 −74.322 −19.1051.00 65.50 MOL3 O ATOM 9330 NE2 GLN G 90 12.213 −73.893 −19.432 1.0071.24 MOL3 N ATOM 9331 C GLN G 90 12.056 −71.028 −18.878 1.00 53.56 MOL3C ATOM 9332 O GLN G 90 10.868 −70.755 −19.021 1.00 50.35 MOL3 O ATOM9333 N THR G 91 12.900 −71.198 −19.891 1.00 55.41 MOL3 N ATOM 9334 CATHR G 91 12.456 −71.106 −21.270 1.00 60.76 MOL3 C ATOM 9335 CB THR G 9112.789 −69.732 −21.901 1.00 61.23 MOL3 C ATOM 9336 OG1 THR G 91 14.137−69.370 −21.587 1.00 66.23 MOL3 O ATOM 9337 CG2 THR G 91 11.847 −68.662−21.390 1.00 59.04 MOL3 C ATOM 9338 C THR G 91 13.098 −72.201 −22.1011.00 66.38 MOL3 C ATOM 9339 O THR G 91 13.228 −72.070 −23.311 1.00 68.83MOL3 O ATOM 9340 N TRP G 92 13.508 −73.282 −21.450 1.00 72.90 MOL3 NATOM 9341 CA TRP G 92 14.101 −74.391 −22.179 1.00 82.64 MOL3 C ATOM 9342CB TRP G 92 14.903 −75.317 −21.249 1.00 92.36 MOL3 C ATOM 9343 CG TRP G92 16.135 −75.882 −21.919 1.00 107.39 MOL3 C ATOM 9344 CD2 TRP G 9216.173 −76.874 −22.951 1.00 113.90 MOL3 C ATOM 9345 CE2 TRP G 92 17.515−76.985 −23.378 1.00 116.36 MOL3 C ATOM 9346 CE3 TRP G 92 15.203 −77.673−23.561 1.00 120.18 MOL3 C ATOM 9347 CD1 TRP G 92 17.424 −75.455 −21.7621.00 112.31 MOL3 C ATOM 9348 NE1 TRP G 92 18.259 −76.108 −22.634 1.00112.14 MOL3 N ATOM 9349 CZ2 TRP G 92 17.909 −77.862 −24.386 1.00 121.41MOL3 C ATOM 9350 CZ3 TRP G 92 15.595 −78.546 −24.566 1.00 125.94 MOL3 CATOM 9351 CH2 TRP G 92 16.937 −78.632 −24.968 1.00 126.33 MOL3 C ATOM9352 C TRP G 92 12.985 −75.188 −22.852 1.00 85.04 MOL3 C ATOM 9353 O TRPG 92 12.970 −75.333 −24.070 1.00 86.92 MOL3 O ATOM 9354 N SER G 9312.040 −75.685 −22.056 1.00 90.80 MOL3 N ATOM 9355 CA SER G 93 10.924−76.486 −22.572 1.00 98.46 MOL3 C ATOM 9356 CB SER G 93 10.498 −77.523−21.522 1.00 106.12 MOL3 C ATOM 9357 OG SER G 93 9.909 −78.668 −22.1231.00 113.34 MOL3 O ATOM 9358 C SER G 93 9.737 −75.602 −22.944 1.00 98.41MOL3 C ATOM 9359 O SER G 93 9.324 −74.751 −22.153 1.00 97.41 MOL3 O ATOM9360 N ASP G 94 9.178 −75.839 −24.132 1.00 97.22 MOL3 N ATOM 9361 CA ASPG 94 8.076 −75.042 −24.657 1.00 99.78 MOL3 C ATOM 9362 CB ASP G 94 7.395−75.780 −25.799 1.00 105.41 MOL3 C ATOM 9363 CG ASP G 94 7.862 −75.274−27.155 1.00 113.87 MOL3 C ATOM 9364 OD1 ASP G 94 7.655 −74.072 −27.4371.00 113.60 MOL3 O ATOM 9365 OD2 ASP G 94 8.445 −76.063 −27.932 1.00120.61 MOL3 O ATOM 9366 C ASP G 94 7.035 −74.443 −23.713 1.00 100.01MOL3 C ATOM 9367 O ASP G 94 6.713 −73.254 −23.829 1.00 106.52 MOL3 OATOM 9368 N PRO G 95 6.466 −75.235 −22.792 1.00 93.31 MOL3 N ATOM 9369CD PRO G 95 6.356 −76.694 −22.678 1.00 89.29 MOL3 C ATOM 9370 CA PRO G95 5.489 −74.561 −21.924 1.00 84.85 MOL3 C ATOM 9371 CB PRO G 95 4.767−75.711 −21.238 1.00 77.59 MOL3 C ATOM 9372 CG PRO G 95 4.938 −76.839−22.198 1.00 91.35 MOL3 C ATOM 9373 C PRO G 95 6.294 −73.750 −20.9201.00 81.43 MOL3 C ATOM 9374 O PRO G 95 6.496 −74.203 −19.798 1.00 84.19MOL3 O ATOM 9375 N TRP G 96 6.777 −72.575 −21.322 1.00 72.95 MOL3 N ATOM9376 CA TRP G 96 7.571 −71.760 −20.413 1.00 66.65 MOL3 C ATOM 9377 CBTRP G 96 7.819 −70.377 −21.008 1.00 66.86 MOL3 C ATOM 9378 CG TRP G 968.524 −70.410 −22.314 1.00 67.77 MOL3 C ATOM 9379 CD2 TRP G 96 8.432−69.441 −23.362 1.00 73.87 MOL3 C ATOM 9380 CE2 TRP G 96 9.248 −69.889−24.420 1.00 72.77 MOL3 C ATOM 9381 CE3 TRP G 96 7.738 −68.237 −23.5101.00 75.04 MOL3 C ATOM 9382 CD1 TRP G 96 9.373 −71.373 −22.758 1.0070.29 MOL3 C ATOM 9383 NE1 TRP G 96 9.813 −71.073 −24.028 1.00 71.16MOL3 N ATOM 9384 CZ2 TRP G 96 9.385 −69.179 −25.608 1.00 73.12 MOL3 CATOM 9385 CZ3 TRP G 96 7.878 −67.534 −24.694 1.00 76.94 MOL3 C ATOM 9386CH2 TRP G 96 8.693 −68.006 −25.725 1.00 74.23 MOL3 C ATOM 9387 C TRP G96 6.847 −71.650 −19.073 1.00 65.18 MOL3 C ATOM 9388 O TRP G 96 5.660−71.319 −19.019 1.00 66.34 MOL3 O ATOM 9389 N THR G 97 7.561 −71.925−17.988 1.00 61.09 MOL3 N ATOM 9390 CA THR G 97 6.955 −71.899 −16.6591.00 65.03 MOL3 C ATOM 9391 CB THR G 97 7.001 −73.293 −16.032 1.00 67.22MOL3 C ATOM 9392 OG1 THR G 97 8.353 −73.768 −16.020 1.00 63.22 MOL3 OATOM 9393 CG2 THR G 97 6.153 −74.254 −16.833 1.00 74.80 MOL3 C ATOM 9394C THR G 97 7.585 −70.938 −15.664 1.00 62.36 MOL3 C ATOM 9395 O THR G 978.752 −70.581 −15.794 1.00 70.37 MOL3 O ATOM 9396 N PHE G 98 6.815−70.532 −14.660 1.00 52.65 MOL3 N ATOM 9397 CA PHE G 98 7.334 −69.622−13.656 1.00 54.09 MOL3 C ATOM 9398 CB PHE G 98 6.497 −68.342 −13.6051.00 56.03 MOL3 C ATOM 9399 CG PHE G 98 6.612 −67.493 −14.836 1.00 54.73MOL3 C ATOM 9400 CD1 PHE G 98 6.221 −67.979 −16.072 1.00 58.99 MOL3 CATOM 9401 CD2 PHE G 98 7.127 −66.224 −14.764 1.00 49.70 MOL3 C ATOM 9402CE1 PHE G 98 6.347 −67.209 −17.217 1.00 52.80 MOL3 C ATOM 9403 CE2 PHE G98 7.252 −65.456 −15.905 1.00 57.24 MOL3 C ATOM 9404 CZ PHE G 98 6.860−65.952 −17.133 1.00 52.09 MOL3 C ATOM 9405 C PHE G 98 7.343 −70.273−12.285 1.00 56.18 MOL3 C ATOM 9406 O PHE G 98 6.818 −71.362 −12.0951.00 60.20 MOL3 O ATOM 9407 N GLY G 99 7.958 −69.599 −11.326 1.00 59.27MOL3 N ATOM 9408 CA GLY G 99 8.003 −70.117 −9.977 1.00 54.28 MOL3 C ATOM9409 C GLY G 99 6.782 −69.592 −9.243 1.00 58.17 MOL3 C ATOM 9410 O GLY G99 6.030 −68.750 −9.758 1.00 51.24 MOL3 O ATOM 9411 N GLN G 100 6.578−70.100 −8.035 1.00 60.52 MOL3 N ATOM 9412 CA GLN G 100 5.449 −69.696−7.211 1.00 58.73 MOL3 C ATOM 9413 CB GLN G 100 5.346 −70.563 −5.9591.00 66.97 MOL3 C ATOM 9414 CG GLN G 100 6.680 −71.019 −5.412 1.00 69.67MOL3 C ATOM 9415 CD GLN G 100 7.207 −72.178 −6.222 1.00 80.37 MOL3 CATOM 9416 OE1 GLN G 100 8.397 −72.470 −6.213 1.00 83.56 MOL3 O ATOM 9417NE2 GLN G 100 6.307 −72.857 −6.932 1.00 80.26 MOL3 N ATOM 9418 C GLN G100 5.641 −68.280 −6.763 1.00 56.38 MOL3 C ATOM 9419 O GLN G 100 4.683−67.620 −6.381 1.00 60.88 MOL3 O ATOM 9420 N GLY G 101 6.889 −67.829−6.783 1.00 53.37 MOL3 N ATOM 9421 CA GLY G 101 7.196 −66.480 −6.3491.00 53.27 MOL3 C ATOM 9422 C GLY G 101 7.527 −66.401 −4.866 1.00 52.19MOL3 C ATOM 9423 O GLY G 101 6.896 −67.059 −4.040 1.00 54.76 MOL3 O ATOM9424 N THR G 102 8.517 −65.581 −4.533 1.00 51.37 MOL3 N ATOM 9425 CA THRG 102 8.963 −65.395 −3.155 1.00 48.52 MOL3 C ATOM 9426 CB THR G 10210.475 −65.654 −3.026 1.00 47.16 MOL3 C ATOM 9427 OG1 THR G 102 10.760−67.011 −3.386 1.00 45.24 MOL3 O ATOM 9428 CG2 THR G 102 10.947 −65.366−1.613 1.00 28.54 MOL3 C ATOM 9429 C THR G 102 8.708 −63.965 −2.715 1.0049.06 MOL3 C ATOM 9430 O THR G 102 9.189 −63.026 −3.341 1.00 50.78 MOL3O ATOM 9431 N LYS G 103 7.959 −63.794 −1.638 1.00 47.88 MOL3 N ATOM 9432CA LYS G 103 7.681 −62.456 −1.168 1.00 53.43 MOL3 C ATOM 9433 CB LYS G103 6.246 −62.359 −0.628 1.00 53.18 MOL3 C ATOM 9434 CG LYS G 103 5.942−60.998 −0.003 1.00 63.25 MOL3 C ATOM 9435 CD LYS G 103 4.625 −60.396−0.499 1.00 78.01 MOL3 C ATOM 9436 CE LYS G 103 3.422 −60.787 0.370 1.0085.65 MOL3 C ATOM 9437 NZ LYS G 103 2.142 −60.134 −0.074 1.00 86.23 MOL3N ATOM 9438 C LYS G 103 8.667 −62.078 −0.079 1.00 52.90 MOL3 C ATOM 9439O LYS G 103 8.808 −62.803 0.898 1.00 55.67 MOL3 O ATOM 9440 N VAL G 1049.362 −60.958 −0.257 1.00 48.13 MOL3 N ATOM 9441 CA VAL G 104 10.302−60.488 0.749 1.00 46.61 MOL3 C ATOM 9442 CB VAL G 104 11.600 −59.9440.151 1.00 44.34 MOL3 C ATOM 9443 CG1 VAL G 104 12.285 −59.072 1.1731.00 47.16 MOL3 C ATOM 9444 CG2 VAL G 104 12.527 −61.087 −0.236 1.0034.69 MOL3 C ATOM 9445 C VAL G 104 9.620 −59.361 1.478 1.00 51.75 MOL3 CATOM 9446 O VAL G 104 9.178 −58.398 0.850 1.00 56.13 MOL3 O ATOM 9447 NGLU G 105 9.550 −59.485 2.802 1.00 56.30 MOL3 N ATOM 9448 CA GLU G 1058.883 −58.508 3.657 1.00 62.68 MOL3 C ATOM 9449 CB GLU G 105 7.687−59.188 4.331 1.00 68.61 MOL3 C ATOM 9450 CG GLU G 105 6.761 −59.9133.345 1.00 81.12 MOL3 C ATOM 9451 CD GLU G 105 5.877 −60.980 4.000 1.0089.16 MOL3 C ATOM 9452 OE1 GLU G 105 6.429 −61.894 4.665 1.00 87.13 MOL3O ATOM 9453 OE2 GLU G 105 4.631 −60.906 3.836 1.00 90.53 MOL3 O ATOM9454 C GLU G 105 9.846 −57.972 4.708 1.00 61.84 MOL3 C ATOM 9455 O GLU G105 10.789 −58.659 5.087 1.00 60.52 MOL3 O ATOM 9456 N ILE G 106 9.595−56.756 5.185 1.00 63.70 MOL3 N ATOM 9457 CA ILE G 106 10.457 −56.1236.180 1.00 66.29 MOL3 C ATOM 9458 CB ILE G 106 10.163 −54.609 6.272 1.0075.24 MOL3 C ATOM 9459 CG2 ILE G 106 8.792 −54.358 6.907 1.00 73.40 MOL3C ATOM 9460 CG1 ILE G 106 11.240 −53.929 7.109 1.00 83.07 MOL3 C ATOM9461 CD1 ILE G 106 10.937 −52.475 7.395 1.00 94.36 MOL3 C ATOM 9462 CILE G 106 10.298 −56.724 7.570 1.00 63.00 MOL3 C ATOM 9463 O ILE G 1069.198 −56.736 8.115 1.00 62.22 MOL3 O ATOM 9464 N LYS G 107 11.397−57.215 8.148 1.00 61.89 MOL3 N ATOM 9465 CA LYS G 107 11.348 −57.8039.490 1.00 58.32 MOL3 C ATOM 9466 CB LYS G 107 12.560 −58.703 9.756 1.0064.24 MOL3 C ATOM 9467 CG LYS G 107 12.556 −59.302 11.164 1.00 76.68MOL3 C ATOM 9468 CD LYS G 107 12.882 −60.809 11.191 1.00 84.55 MOL3 CATOM 9469 CE LYS G 107 12.665 −61.387 12.607 1.00 92.40 MOL3 C ATOM 9470NZ LYS G 107 13.074 −62.821 12.794 1.00 93.06 MOL3 N ATOM 9471 C LYS G107 11.290 −56.737 10.561 1.00 50.25 MOL3 C ATOM 9472 O LYS G 107 11.867−55.674 10.412 1.00 53.80 MOL3 O ATOM 9473 N ARG G 108 10.576 −57.00811.639 1.00 50.03 MOL3 N ATOM 9474 CA ARG G 108 10.494 −56.038 12.7171.00 55.61 MOL3 C ATOM 9475 CB ARG G 108 9.475 −54.948 12.375 1.00 57.58MOL3 C ATOM 9476 CG ARG G 108 8.027 −55.399 12.345 1.00 61.93 MOL3 CATOM 9477 CD ARG G 108 7.352 −55.151 13.680 1.00 64.48 MOL3 C ATOM 9478NE ARG G 108 6.746 −53.827 13.804 1.00 67.68 MOL3 N ATOM 9479 CZ ARG G108 6.291 −53.321 14.950 1.00 72.94 MOL3 C ATOM 9480 NH1 ARG G 108 6.386−54.027 16.072 1.00 69.80 MOL3 N ATOM 9481 NH2 ARG G 108 5.721 −52.11914.980 1.00 70.24 MOL3 N ATOM 9482 C ARG G 108 10.175 −56.658 14.0801.00 60.90 MOL3 C ATOM 9483 O ARG G 108 9.930 −57.867 14.210 1.00 65.41MOL3 O ATOM 9484 N THR G 109 10.211 −55.817 15.105 1.00 62.58 MOL3 NATOM 9485 CA THR G 109 9.940 −56.237 16.471 1.00 60.47 MOL3 C ATOM 9486CB THR G 109 10.003 −55.043 17.404 1.00 60.71 MOL3 C ATOM 9487 OG1 THR G109 9.235 −55.311 18.580 1.00 73.35 MOL3 O ATOM 9488 CG2 THR G 109 9.408−53.842 16.721 1.00 66.48 MOL3 C ATOM 9489 C THR G 109 8.543 −56.81616.562 1.00 59.71 MOL3 C ATOM 9490 O THR G 109 7.607 −56.240 16.026 1.0058.88 MOL3 O ATOM 9491 N ASP G 110 8.393 −57.943 17.251 1.00 61.73 MOL3N ATOM 9492 CA ASP G 110 7.075 −58.564 17.399 1.00 60.21 MOL3 C ATOM9493 CB ASP G 110 7.203 −59.886 18.156 1.00 65.63 MOL3 C ATOM 9494 CGASP G 110 8.011 −60.914 17.387 1.00 75.02 MOL3 C ATOM 9495 OD1 ASP G 1109.028 −60.522 16.767 1.00 80.50 MOL3 O ATOM 9496 OD2 ASP G 110 7.637−62.109 17.407 1.00 75.96 MOL3 O ATOM 9497 C ASP G 110 6.102 −57.63818.127 1.00 54.74 MOL3 C ATOM 9498 O ASP G 110 6.510 −56.783 18.921 1.0047.51 MOL3 O ATOM 9499 N ALA G 111 4.815 −57.788 17.832 1.00 49.84 MOL3N ATOM 9500 CA ALA G 111 3.798 −56.966 18.481 1.00 53.97 MOL3 C ATOM9501 CB ALA G 111 3.636 −55.640 17.783 1.00 51.21 MOL3 C ATOM 9502 C ALAG 111 2.473 −57.699 18.512 1.00 58.54 MOL3 C ATOM 9503 O ALA G 111 2.041−58.288 17.517 1.00 53.64 MOL3 O ATOM 9504 N ALA G 112 1.833 −57.66319.676 1.00 62.23 MOL3 N ATOM 9505 CA ALA G 112 0.564 −58.345 19.8661.00 57.12 MOL3 C ATOM 9506 CB ALA G 112 0.285 −58.531 21.339 1.00 60.78MOL3 C ATOM 9507 C ALA G 112 −0.572 −57.595 19.226 1.00 56.03 MOL3 CATOM 9508 O ALA G 112 −0.569 −56.362 19.147 1.00 61.24 MOL3 O ATOM 9509N PRO G 113 −1.573 −58.338 18.761 1.00 51.66 MOL3 N ATOM 9510 CD PRO G113 −1.613 −59.802 18.801 1.00 51.71 MOL3 C ATOM 9511 CA PRO G 113−2.769 −57.824 18.108 1.00 52.64 MOL3 C ATOM 9512 CB PRO G 113 −3.399−59.073 17.523 1.00 52.21 MOL3 C ATOM 9513 CG PRO G 113 −3.086 −60.06918.534 1.00 52.02 MOL3 C ATOM 9514 C PRO G 113 −3.695 −57.165 19.0871.00 55.64 MOL3 C ATOM 9515 O PRO G 113 −3.695 −57.483 20.272 1.00 58.00MOL3 O ATOM 9516 N THR G 114 −4.496 −56.250 18.570 1.00 60.16 MOL3 NATOM 9517 CA THR G 114 −5.474 −55.537 19.368 1.00 64.05 MOL3 C ATOM 9518CB THR G 114 −5.299 −54.054 19.174 1.00 62.25 MOL3 C ATOM 9519 OG1 THR G114 −3.938 −53.718 19.479 1.00 69.10 MOL3 O ATOM 9520 CG2 THR G 114−6.260 −53.285 20.055 1.00 54.79 MOL3 C ATOM 9521 C THR G 114 −6.823−55.980 18.833 1.00 66.27 MOL3 C ATOM 9522 O THR G 114 −7.265 −55.51717.785 1.00 68.25 MOL3 O ATOM 9523 N VAL G 115 −7.474 −56.888 19.5501.00 66.96 MOL3 N ATOM 9524 CA VAL G 115 −8.755 −57.412 19.098 1.0065.05 MOL3 C ATOM 9525 CB VAL G 115 −8.996 −58.818 19.640 1.00 60.15MOL3 C ATOM 9526 CG1 VAL G 115 −10.030 −59.531 18.791 1.00 52.83 MOL3 CATOM 9527 CG2 VAL G 115 −7.697 −59.579 19.652 1.00 64.42 MOL3 C ATOM9528 C VAL G 115 −9.960 −56.563 19.450 1.00 67.57 MOL3 C ATOM 9529 O VALG 115 −9.931 −55.750 20.378 1.00 69.52 MOL3 O ATOM 9530 N SER G 116−11.028 −56.776 18.690 1.00 69.63 MOL3 N ATOM 9531 CA SER G 116 −12.285−56.062 18.870 1.00 70.90 MOL3 C ATOM 9532 CB SER G 116 −12.180 −54.70118.203 1.00 75.40 MOL3 C ATOM 9533 OG SER G 116 −11.305 −54.796 17.0891.00 82.22 MOL3 O ATOM 9534 C SER G 116 −13.398 −56.885 18.231 1.0067.95 MOL3 C ATOM 9535 O SER G 116 −13.283 −57.307 17.083 1.00 63.09MOL3 O ATOM 9536 N ILE G 117 −14.466 −57.129 18.981 1.00 67.87 MOL3 NATOM 9537 CA ILE G 117 −15.580 −57.916 18.461 1.00 69.73 MOL3 C ATOM9538 CB ILE G 117 −15.907 −59.111 19.385 1.00 70.07 MOL3 C ATOM 9539 CG2ILE G 117 −16.750 −58.648 20.557 1.00 69.94 MOL3 C ATOM 9540 CG1 ILE G117 −16.697 −60.170 18.619 1.00 70.23 MOL3 C ATOM 9541 CD1 ILE G 117−16.683 −61.525 19.300 1.00 70.26 MOL3 C ATOM 9542 C ILE G 117 −16.833−57.054 18.311 1.00 71.08 MOL3 C ATOM 9543 O ILE G 117 −17.148 −56.22719.174 1.00 69.98 MOL3 O ATOM 9544 N PHE G 118 −17.549 −57.259 17.2111.00 70.99 MOL3 N ATOM 9545 CA PHE G 118 −18.750 −56.487 16.922 1.0069.44 MOL3 C ATOM 9546 CB PHE G 118 −18.530 −55.614 15.681 1.00 62.42MOL3 C ATOM 9547 CG PHE G 118 −17.466 −54.575 15.846 1.00 54.81 MOL3 CATOM 9548 CD1 PHE G 118 −16.128 −54.925 15.839 1.00 55.60 MOL3 C ATOM9549 CD2 PHE G 118 −17.805 −53.242 16.011 1.00 51.96 MOL3 C ATOM 9550CE1 PHE G 118 −15.142 −53.959 15.992 1.00 54.63 MOL3 C ATOM 9551 CE2 PHEG 118 −16.834 −52.270 16.164 1.00 49.00 MOL3 C ATOM 9552 CZ PHE G 118−15.495 −52.632 16.154 1.00 52.65 MOL3 C ATOM 9553 C PHE G 118 −19.996−57.332 16.686 1.00 72.36 MOL3 C ATOM 9554 O PHE G 118 −20.001 −58.24315.850 1.00 71.00 MOL3 O ATOM 9555 N PRO G 119 −21.083 −57.014 17.4071.00 75.07 MOL3 N ATOM 9556 CD PRO G 119 −21.103 −55.985 18.455 1.0076.76 MOL3 C ATOM 9557 CA PRO G 119 −22.382 −57.694 17.332 1.00 73.75MOL3 C ATOM 9558 CB PRO G 119 −23.150 −57.126 18.519 1.00 75.13 MOL3 CATOM 9559 CG PRO G 119 −22.062 −56.590 19.432 1.00 80.98 MOL3 C ATOM9560 C PRO G 119 −23.027 −57.282 16.036 1.00 70.57 MOL3 C ATOM 9561 OPRO G 119 −22.787 −56.185 15.554 1.00 73.68 MOL3 O ATOM 9562 N PRO G 120−23.857 −58.150 15.457 1.00 69.35 MOL3 N ATOM 9563 CD PRO G 120 −24.086−59.537 15.888 1.00 74.69 MOL3 C ATOM 9564 CA PRO G 120 −24.552 −57.87514.199 1.00 69.18 MOL3 C ATOM 9565 CB PRO G 120 −25.495 −59.055 14.0601.00 67.07 MOL3 C ATOM 9566 CG PRO G 120 −24.688 −60.165 14.633 1.0076.37 MOL3 C ATOM 9567 C PRO G 120 −25.294 −56.559 14.209 1.00 73.59MOL3 C ATOM 9568 O PRO G 120 −25.978 −56.215 15.171 1.00 77.28 MOL3 OATOM 9569 N SER G 121 −25.145 −55.815 13.127 1.00 80.20 MOL3 N ATOM 9570CA SER G 121 −25.808 −54.532 13.000 1.00 86.41 MOL3 C ATOM 9571 CB SER G121 −25.455 −53.930 11.640 1.00 85.97 MOL3 C ATOM 9572 OG SER G 121−26.166 −52.727 11.424 1.00 92.58 MOL3 O ATOM 9573 C SER G 121 −27.322−54.730 13.110 1.00 88.90 MOL3 C ATOM 9574 O SER G 121 −27.882 −55.58212.422 1.00 90.54 MOL3 O ATOM 9575 N SER G 122 −27.979 −53.963 13.9771.00 88.80 MOL3 N ATOM 9576 CA SER G 122 −29.427 −54.064 14.126 1.0088.92 MOL3 C ATOM 9577 CB SER G 122 −29.949 −52.912 14.982 1.00 87.53MOL3 C ATOM 9578 OG SER G 122 −29.744 −51.671 14.324 1.00 81.66 MOL3 OATOM 9579 C SER G 122 −30.018 −53.959 12.721 1.00 91.86 MOL3 C ATOM 9580O SER G 122 −30.960 −54.682 12.368 1.00 95.70 MOL3 O ATOM 9581 N GLU G123 −29.448 −53.049 11.929 1.00 88.58 MOL3 N ATOM 9582 CA GLU G 123−29.878 −52.829 10.552 1.00 90.03 MOL3 C ATOM 9583 CB GLU G 123 −28.981−51.806 9.859 1.00 93.16 MOL3 C ATOM 9584 CG GLU G 123 −29.097 −50.38110.358 1.00 104.12 MOL3 C ATOM 9585 CD GLU G 123 −28.124 −49.442 9.6491.00 107.92 MOL3 C ATOM 9586 OE1 GLU G 123 −28.038 −49.505 8.399 1.00107.64 MOL3 O ATOM 9587 OE2 GLU G 123 −27.451 −48.641 10.339 1.00 106.83MOL3 O ATOM 9588 C GLU G 123 −29.784 −54.122 9.766 1.00 89.02 MOL3 CATOM 9589 O GLU G 123 −30.599 −54.395 8.887 1.00 90.23 MOL3 O ATOM 9590N GLN G 124 −28.772 −54.919 10.074 1.00 87.71 MOL3 N ATOM 9591 CA GLN G124 −28.590 −56.166 9.359 1.00 85.87 MOL3 C ATOM 9592 CB GLN G 124−27.158 −56.700 9.549 1.00 83.04 MOL3 C ATOM 9593 CG GLN G 124 −26.679−57.575 8.380 1.00 72.78 MOL3 C ATOM 9594 CD GLN G 124 −25.579 −58.5718.745 1.00 67.34 MOL3 C ATOM 9595 OE1 GLN G 124 −25.236 −59.432 7.9411.00 64.50 MOL3 O ATOM 9596 NE2 GLN G 124 −25.029 −58.458 9.952 1.0062.37 MOL3 N ATOM 9597 C GLN G 124 −29.624 −57.200 9.804 1.00 88.09 MOL3C ATOM 9598 O GLN G 124 −30.260 −57.840 8.969 1.00 88.19 MOL3 O ATOM9599 N LEU G 125 −29.800 −57.345 11.116 1.00 88.35 MOL3 N ATOM 9600 CALEU G 125 −30.749 −58.302 11.664 1.00 88.57 MOL3 C ATOM 9601 CB LEU G125 −30.919 −58.060 13.154 1.00 81.47 MOL3 C ATOM 9602 CG LEU G 125−29.566 −58.007 13.846 1.00 80.53 MOL3 C ATOM 9603 CD1 LEU G 125 −29.715−58.053 15.361 1.00 81.15 MOL3 C ATOM 9604 CD2 LEU G 125 −28.758 −59.18013.353 1.00 82.76 MOL3 C ATOM 9605 C LEU G 125 −32.089 −58.185 10.9641.00 94.05 MOL3 C ATOM 9606 O LEU G 125 −32.764 −59.186 10.721 1.0099.06 MOL3 O ATOM 9607 N THR G 126 −32.470 −56.957 10.635 1.00 94.75MOL3 N ATOM 9608 CA THR G 126 −33.729 −56.724 9.955 1.00 98.01 MOL3 CATOM 9609 CB THR G 126 −34.145 −55.249 10.056 1.00 99.91 MOL3 C ATOM9610 OG1 THR G 126 −33.243 −54.445 9.290 1.00 106.32 MOL3 O ATOM 9611CG2 THR G 126 −34.118 −54.792 11.511 1.00 96.26 MOL3 C ATOM 9612 C THR G126 −33.588 −57.123 8.488 1.00 98.92 MOL3 C ATOM 9613 O THR G 126−33.844 −56.334 7.581 1.00 100.22 MOL3 O ATOM 9614 N SER G 127 −33.166−58.360 8.268 1.00 100.96 MOL3 N ATOM 9615 CA SER G 127 −33.001 −58.8846.925 1.00 102.45 MOL3 C ATOM 9616 CB SER G 127 −31.882 −58.136 6.2061.00 101.05 MOL3 C ATOM 9617 OG SER G 127 −32.089 −58.172 4.807 1.00101.36 MOL3 O ATOM 9618 C SER G 127 −32.701 −60.385 6.991 1.00 105.77MOL3 C ATOM 9619 O SER G 127 −32.175 −60.974 6.044 1.00 106.86 MOL3 OATOM 9620 N GLY G 128 −33.046 −60.994 8.126 1.00 107.93 MOL3 N ATOM 9621CA GLY G 128 −32.845 −62.422 8.321 1.00 105.90 MOL3 C ATOM 9622 C GLY G128 −31.399 −62.877 8.319 1.00 104.35 MOL3 C ATOM 9623 O GLY G 128−31.117 −64.069 8.144 1.00 106.10 MOL3 O ATOM 9624 N GLY G 129 −30.482−61.933 8.515 1.00 98.25 MOL3 N ATOM 9625 CA GLY G 129 −29.072 −62.2728.531 1.00 92.35 MOL3 C ATOM 9626 C GLY G 129 −28.356 −61.561 9.655 1.0088.02 MOL3 C ATOM 9627 O GLY G 129 −28.850 −60.549 10.158 1.00 84.86MOL3 O ATOM 9628 N ALA G 130 −27.201 −62.092 10.051 1.00 83.24 MOL3 NATOM 9629 CA ALA G 130 −26.406 −61.500 11.124 1.00 78.99 MOL3 C ATOM9630 CB ALA G 130 −26.986 −61.877 12.471 1.00 81.34 MOL3 C ATOM 9631 CALA G 130 −24.957 −61.949 11.037 1.00 75.59 MOL3 C ATOM 9632 O ALA G 130−24.675 −63.136 10.889 1.00 77.64 MOL3 O ATOM 9633 N SER G 131 −24.043−60.988 11.134 1.00 72.17 MOL3 N ATOM 9634 CA SER G 131 −22.609 −61.26411.054 1.00 70.55 MOL3 C ATOM 9635 CB SER G 131 −22.006 −60.599 9.8051.00 72.57 MOL3 C ATOM 9636 OG SER G 131 −22.620 −61.021 8.601 1.0074.24 MOL3 O ATOM 9637 C SER G 131 −21.864 −60.719 12.266 1.00 67.32MOL3 C ATOM 9638 O SER G 131 −22.089 −59.584 12.682 1.00 68.97 MOL3 OATOM 9639 N VAL G 132 −20.967 −61.514 12.827 1.00 61.90 MOL3 N ATOM 9640CA VAL G 132 −20.195 −61.036 13.952 1.00 64.01 MOL3 C ATOM 9641 CB VAL G132 −20.099 −62.062 15.040 1.00 70.94 MOL3 C ATOM 9642 CG1 VAL G 132−19.661 −61.380 16.337 1.00 74.41 MOL3 C ATOM 9643 CG2 VAL G 132 −21.425−62.771 15.180 1.00 77.72 MOL3 C ATOM 9644 C VAL G 132 −18.803 −60.77513.435 1.00 63.54 MOL3 C ATOM 9645 O VAL G 132 −18.135 −61.678 12.9391.00 64.96 MOL3 O ATOM 9646 N VAL G 133 −18.364 −59.533 13.557 1.0062.84 MOL3 N ATOM 9647 CA VAL G 133 −17.059 −59.143 13.068 1.00 61.23MOL3 C ATOM 9648 CB VAL G 133 −17.155 −57.818 12.311 1.00 62.34 MOL3 CATOM 9649 CG1 VAL G 133 −15.788 −57.429 11.772 1.00 62.81 MOL3 C ATOM9650 CG2 VAL G 133 −18.183 −57.937 11.193 1.00 60.96 MOL3 C ATOM 9651 CVAL G 133 −16.029 −58.990 14.168 1.00 61.49 MOL3 C ATOM 9652 O VAL G 133−16.300 −58.410 15.218 1.00 61.66 MOL3 O ATOM 9653 N CYS G 134 −14.836−59.503 13.905 1.00 61.34 MOL3 N ATOM 9654 CA CYS G 134 −13.753 −59.42614.857 1.00 63.20 MOL3 C ATOM 9655 C CYS G 134 −12.486 −58.942 14.1461.00 61.23 MOL3 C ATOM 9656 O CYS G 134 −12.020 −59.574 13.194 1.0055.75 MOL3 O ATOM 9657 CB CYS G 134 −13.536 −60.800 15.477 1.00 66.10MOL3 C ATOM 9658 SG CYS G 134 −12.545 −60.717 16.988 1.00 79.72 MOL3 SATOM 9659 N PHE G 135 −11.949 −57.811 14.606 1.00 60.15 MOL3 N ATOM 9660CA PHE G 135 −10.740 −57.226 14.030 1.00 58.08 MOL3 C ATOM 9661 CB PHE G135 −10.891 −55.709 13.881 1.00 52.88 MOL3 C ATOM 9662 CG PHE G 135−11.871 −55.295 12.824 1.00 59.57 MOL3 C ATOM 9663 CD1 PHE G 135 −12.689−54.190 13.014 1.00 59.21 MOL3 C ATOM 9664 CD2 PHE G 135 −11.975 −56.00111.635 1.00 60.35 MOL3 C ATOM 9665 CE1 PHE G 135 −13.596 −53.796 12.0361.00 57.13 MOL3 C ATOM 9666 CE2 PHE G 135 −12.880 −55.610 10.653 1.0058.75 MOL3 C ATOM 9667 CZ PHE G 135 −13.689 −54.507 10.857 1.00 56.82MOL3 C ATOM 9668 C PHE G 135 −9.526 −57.504 14.902 1.00 59.96 MOL3 CATOM 9669 O PHE G 135 −9.570 −57.320 16.122 1.00 62.07 MOL3 O ATOM 9670N LEU G 136 −8.451 −57.968 14.273 1.00 58.93 MOL3 N ATOM 9671 CA LEU G136 −7.194 −58.232 14.973 1.00 58.93 MOL3 C ATOM 9672 CB LEU G 136−6.729 −59.685 14.772 1.00 57.75 MOL3 C ATOM 9673 CG LEU G 136 −7.605−60.857 15.231 1.00 54.84 MOL3 C ATOM 9674 CD1 LEU G 136 −8.895 −60.87014.426 1.00 58.56 MOL3 C ATOM 9675 CD2 LEU G 136 −6.863 −62.172 15.0361.00 49.67 MOL3 C ATOM 9676 C LEU G 136 −6.231 −57.277 14.274 1.00 59.50MOL3 C ATOM 9677 O LEU G 136 −5.652 −57.607 13.240 1.00 62.27 MOL3 OATOM 9678 N ASN G 137 −6.059 −56.089 14.835 1.00 56.71 MOL3 N ATOM 9679CA ASN G 137 −5.215 −55.095 14.200 1.00 55.72 MOL3 C ATOM 9680 CB ASN G137 −5.887 −53.716 14.259 1.00 59.86 MOL3 C ATOM 9681 CG ASN G 137−7.166 −53.642 13.447 1.00 61.03 MOL3 C ATOM 9682 OD1 ASN G 137 −7.364−54.407 12.506 1.00 64.04 MOL3 O ATOM 9683 ND2 ASN G 137 −8.033 −52.69813.797 1.00 62.22 MOL3 N ATOM 9684 C ASN G 137 −3.795 −54.929 14.6901.00 57.23 MOL3 C ATOM 9685 O ASN G 137 −3.467 −55.182 15.845 1.00 59.63MOL3 O ATOM 9686 N ASN G 138 −2.966 −54.463 13.767 1.00 62.41 MOL3 NATOM 9687 CA ASN G 138 −1.561 −54.162 13.996 1.00 64.31 MOL3 C ATOM 9688CB ASN G 138 −1.441 −52.794 14.650 1.00 68.13 MOL3 C ATOM 9689 CG ASN G138 −2.342 −51.783 14.014 1.00 72.04 MOL3 C ATOM 9690 OD1 ASN G 138−2.252 −51.524 12.811 1.00 72.39 MOL3 O ATOM 9691 ND2 ASN G 138 −3.236−51.207 14.813 1.00 80.31 MOL3 N ATOM 9692 C ASN G 138 −0.773 −55.15814.813 1.00 59.99 MOL3 C ATOM 9693 O ASN G 138 −0.503 −54.926 15.9881.00 64.26 MOL3 O ATOM 9694 N PHE G 139 −0.383 −56.258 14.192 1.00 53.94MOL3 N ATOM 9695 CA PHE G 139 0.403 −57.244 14.909 1.00 59.73 MOL3 CATOM 9696 CB PHE G 139 −0.486 −58.416 15.366 1.00 60.06 MOL3 C ATOM 9697CG PHE G 139 −1.159 −59.163 14.248 1.00 54.71 MOL3 C ATOM 9698 CD1 PHE G139 −0.525 −60.218 13.623 1.00 50.69 MOL3 C ATOM 9699 CD2 PHE G 139−2.436 −58.814 13.835 1.00 57.51 MOL3 C ATOM 9700 CE1 PHE G 139 −1.155−60.914 12.607 1.00 55.12 MOL3 C ATOM 9701 CE2 PHE G 139 −3.070 −59.50712.819 1.00 56.29 MOL3 C ATOM 9702 CZ PHE G 139 −2.428 −60.557 12.2061.00 52.91 MOL3 C ATOM 9703 C PHE G 139 1.582 −57.733 14.076 1.00 60.66MOL3 C ATOM 9704 O PHE G 139 1.694 −57.394 12.900 1.00 68.95 MOL3 O ATOM9705 N TYR G 140 2.473 −58.502 14.697 1.00 56.57 MOL3 N ATOM 9706 CA TYRG 140 3.643 −59.036 14.017 1.00 51.98 MOL3 C ATOM 9707 CB TYR G 1404.698 −57.956 13.795 1.00 59.30 MOL3 C ATOM 9708 CG TYR G 140 5.811−58.435 12.897 1.00 62.50 MOL3 C ATOM 9709 CD1 TYR G 140 5.587 −58.62111.547 1.00 66.09 MOL3 C ATOM 9710 CE1 TYR G 140 6.548 −59.154 10.7221.00 67.77 MOL3 C ATOM 9711 CD2 TYR G 140 7.049 −58.789 13.404 1.0065.14 MOL3 C ATOM 9712 CE2 TYR G 140 8.026 −59.325 12.575 1.00 69.26MOL3 C ATOM 9713 CZ TYR G 140 7.758 −59.506 11.235 1.00 65.47 MOL3 CATOM 9714 OH TYR G 140 8.673 −60.074 10.392 1.00 65.00 MOL3 O ATOM 9715C TYR G 140 4.264 −60.132 14.855 1.00 53.24 MOL3 C ATOM 9716 O TYR G 1404.395 −59.993 16.074 1.00 56.49 MOL3 O ATOM 9717 N PRO G 141 4.680−61.230 14.216 1.00 51.56 MOL3 N ATOM 9718 CD PRO G 141 5.455 −62.28714.880 1.00 50.59 MOL3 C ATOM 9719 CA PRO G 141 4.595 −61.482 12.7771.00 57.08 MOL3 C ATOM 9720 CB PRO G 141 5.491 −62.701 12.585 1.00 59.79MOL3 C ATOM 9721 CG PRO G 141 5.371 −63.406 13.887 1.00 57.48 MOL3 CATOM 9722 C PRO G 141 3.178 −61.709 12.277 1.00 60.51 MOL3 C ATOM 9723 OPRO G 141 2.216 −61.594 13.041 1.00 55.20 MOL3 O ATOM 9724 N LYS G 1423.071 −62.034 10.989 1.00 64.09 MOL3 N ATOM 9725 CA LYS G 142 1.786−62.239 10.325 1.00 68.66 MOL3 C ATOM 9726 CB LYS G 142 1.971 −62.2228.803 1.00 71.39 MOL3 C ATOM 9727 CG LYS G 142 3.050 −63.186 8.328 1.0077.11 MOL3 C ATOM 9728 CD LYS G 142 3.074 −63.350 6.822 1.00 74.18 MOL3C ATOM 9729 CE LYS G 142 4.323 −64.109 6.405 1.00 78.10 MOL3 C ATOM 9730NZ LYS G 142 4.537 −65.339 7.227 1.00 78.29 MOL3 N ATOM 9731 C LYS G 1421.083 −63.524 10.709 1.00 68.55 MOL3 C ATOM 9732 O LYS G 142 −0.146−63.600 10.676 1.00 67.33 MOL3 O ATOM 9733 N ASP G 143 1.855 −64.54611.050 1.00 72.24 MOL3 N ATOM 9734 CA ASP G 143 1.252 −65.825 11.4171.00 78.88 MOL3 C ATOM 9735 CB ASP G 143 2.325 −66.898 11.693 1.00 95.87MOL3 C ATOM 9736 CG ASP G 143 3.157 −67.246 10.454 1.00 111.13 MOL3 CATOM 9737 OD1 ASP G 143 2.596 −67.846 9.505 1.00 117.55 MOL3 O ATOM 9738OD2 ASP G 143 4.372 −66.919 10.429 1.00 115.57 MOL3 O ATOM 9739 C ASP G143 0.413 −65.639 12.664 1.00 72.28 MOL3 C ATOM 9740 O ASP G 143 0.928−65.311 13.726 1.00 74.20 MOL3 O ATOM 9741 N ILE G 144 −0.891 −65.81712.532 1.00 68.45 MOL3 N ATOM 9742 CA ILE G 144 −1.772 −65.703 13.6851.00 66.27 MOL3 C ATOM 9743 CB ILE G 144 −2.317 −64.286 13.903 1.0065.85 MOL3 C ATOM 9744 CG2 ILE G 144 −3.636 −64.111 13.172 1.00 62.97MOL3 C ATOM 9745 CG1 ILE G 144 −2.594 −64.078 15.390 1.00 66.78 MOL3 CATOM 9746 CD1 ILE G 144 −3.305 −62.784 15.706 1.00 70.79 MOL3 C ATOM9747 C ILE G 144 −2.945 −66.624 13.450 1.00 66.44 MOL3 C ATOM 9748 O ILEG 144 −3.213 −67.026 12.325 1.00 69.05 MOL3 O ATOM 9749 N ASN G 145−3.654 −66.969 14.509 1.00 70.48 MOL3 N ATOM 9750 CA ASN G 145 −4.778−67.865 14.340 1.00 75.42 MOL3 C ATOM 9751 CB ASN G 145 −4.360 −69.29414.683 1.00 84.58 MOL3 C ATOM 9752 CG ASN G 145 −5.480 −70.279 14.4811.00 95.33 MOL3 C ATOM 9753 OD1 ASN G 145 −6.085 −70.332 13.405 1.00104.55 MOL3 O ATOM 9754 ND2 ASN G 145 −5.773 −71.068 15.514 1.00 99.08MOL3 N ATOM 9755 C ASN G 145 −5.990 −67.456 15.163 1.00 75.42 MOL3 CATOM 9756 O ASN G 145 −5.891 −67.205 16.368 1.00 77.45 MOL3 O ATOM 9757N VAL G 146 −7.137 −67.386 14.495 1.00 73.39 MOL3 N ATOM 9758 CA VAL G146 −8.383 −67.004 15.150 1.00 75.23 MOL3 C ATOM 9759 CB VAL G 146−9.191 −65.996 14.326 1.00 75.12 MOL3 C ATOM 9760 CG1 VAL G 146 −9.664−66.641 13.031 1.00 79.48 MOL3 C ATOM 9761 CG2 VAL G 146 −10.395 −65.53815.122 1.00 77.82 MOL3 C ATOM 9762 C VAL G 146 −9.294 −68.202 15.3651.00 80.03 MOL3 C ATOM 9763 O VAL G 146 −9.412 −69.075 14.496 1.00 83.39MOL3 O ATOM 9764 N LYS G 147 −9.943 −68.232 16.525 1.00 81.58 MOL3 NATOM 9765 CA LYS G 147 −10.869 −69.307 16.862 1.00 81.06 MOL3 C ATOM9766 CB LYS G 147 −10.309 −70.171 18.001 1.00 88.49 MOL3 C ATOM 9767 CGLYS G 147 −11.250 −71.290 18.466 1.00 95.72 MOL3 C ATOM 9768 CD LYS G147 −10.867 −71.867 19.848 1.00 103.44 MOL3 C ATOM 9769 CE LYS G 147−9.612 −72.749 19.802 1.00 109.76 MOL3 C ATOM 9770 NZ LYS G 147 −9.194−73.266 21.148 1.00 107.54 MOL3 N ATOM 9771 C LYS G 147 −12.182 −68.67117.303 1.00 79.53 MOL3 C ATOM 9772 O LYS G 147 −12.181 −67.742 18.1221.00 73.12 MOL3 O ATOM 9773 N TRP G 148 −13.292 −69.150 16.739 1.0079.00 MOL3 N ATOM 9774 CA TRP G 148 −14.620 −68.642 17.104 1.00 79.95MOL3 C ATOM 9775 CB TRP G 148 −15.516 −68.452 15.884 1.00 83.56 MOL3 CATOM 9776 CG TRP G 148 −15.232 −67.229 15.076 1.00 90.17 MOL3 C ATOM9777 CD2 TRP G 148 −15.864 −65.950 15.205 1.00 90.02 MOL3 C ATOM 9778CE2 TRP G 148 −15.314 −65.112 14.220 1.00 88.30 MOL3 C ATOM 9779 CE3 TRPG 148 −16.839 −65.436 16.057 1.00 91.12 MOL3 C ATOM 9780 CD1 TRP G 148−14.344 −67.113 14.048 1.00 90.30 MOL3 C ATOM 9781 NE1 TRP G 148 −14.389−65.845 13.526 1.00 90.45 MOL3 N ATOM 9782 CZ2 TRP G 148 −15.708 −63.79014.063 1.00 87.46 MOL3 C ATOM 9783 CZ3 TRP G 148 −17.226 −64.125 15.8981.00 91.84 MOL3 C ATOM 9784 CH2 TRP G 148 −16.662 −63.317 14.910 1.0088.91 MOL3 C ATOM 9785 C TRP G 148 −15.322 −69.612 18.045 1.00 82.25MOL3 C ATOM 9786 O TRP G 148 −15.204 −70.833 17.895 1.00 84.18 MOL3 OATOM 9787 N LYS G 149 −16.065 −69.069 19.007 1.00 83.17 MOL3 N ATOM 9788CA LYS G 149 −16.788 −69.896 19.980 1.00 82.26 MOL3 C ATOM 9789 CB LYS G149 −16.024 −69.975 21.315 1.00 79.77 MOL3 C ATOM 9790 CG LYS G 149−14.836 −70.934 21.359 1.00 78.20 MOL3 C ATOM 9791 CD LYS G 149 −14.230−70.986 22.760 1.00 75.18 MOL3 C ATOM 9792 CE LYS G 149 −13.063 −71.95522.824 1.00 79.05 MOL3 C ATOM 9793 NZ LYS G 149 −12.535 −72.081 24.2091.00 84.73 MOL3 N ATOM 9794 C LYS G 149 −18.205 −69.405 20.281 1.0083.68 MOL3 C ATOM 9795 O LYS G 149 −18.392 −68.315 20.830 1.00 80.33MOL3 O ATOM 9796 N ILE G 150 −19.196 −70.220 19.921 1.00 86.68 MOL3 NATOM 9797 CA ILE G 150 −20.598 −69.904 20.189 1.00 87.86 MOL3 C ATOM9798 CB ILE G 150 −21.532 −70.330 19.037 1.00 86.02 MOL3 C ATOM 9799 CG2ILE G 150 −22.933 −69.878 19.337 1.00 87.62 MOL3 C ATOM 9800 CG1 ILE G150 −21.097 −69.705 17.715 1.00 86.63 MOL3 C ATOM 9801 CD1 ILE G 150−22.057 −69.992 16.563 1.00 81.81 MOL3 C ATOM 9802 C ILE G 150 −21.015−70.694 21.434 1.00 90.38 MOL3 C ATOM 9803 O ILE G 150 −21.044 −71.93321.424 1.00 90.62 MOL3 O ATOM 9804 N ASP G 151 −21.339 −69.977 22.5031.00 92.97 MOL3 N ATOM 9805 CA ASP G 151 −21.737 −70.612 23.754 1.0097.87 MOL3 C ATOM 9806 CB ASP G 151 −23.142 −71.224 23.629 1.00 105.42MOL3 C ATOM 9807 CG ASP G 151 −24.238 −70.283 24.127 1.00 109.22 MOL3 CATOM 9808 OD1 ASP G 151 −24.107 −69.782 25.267 1.00 112.65 MOL3 O ATOM9809 OD2 ASP G 151 −25.227 −70.050 23.393 1.00 106.71 MOL3 O ATOM 9810 CASP G 151 −20.741 −71.668 24.234 1.00 97.93 MOL3 C ATOM 9811 O ASP G 151−21.128 −72.669 24.839 1.00 99.58 MOL3 O ATOM 9812 N GLY G 152 −19.459−71.442 23.959 1.00 96.41 MOL3 N ATOM 9813 CA GLY G 152 −18.439 −72.37424.408 1.00 95.92 MOL3 C ATOM 9814 C GLY G 152 −17.883 −73.377 23.4121.00 96.33 MOL3 C ATOM 9815 O GLY G 152 −16.823 −73.962 23.662 1.0098.05 MOL3 O ATOM 9816 N SER G 153 −18.577 −73.598 22.297 1.00 95.12MOL3 N ATOM 9817 CA SER G 153 −18.091 −74.548 21.297 1.00 96.65 MOL3 CATOM 9818 CB SER G 153 −19.213 −75.502 20.858 1.00 100.75 MOL3 C ATOM9819 OG SER G 153 −19.102 −76.754 21.525 1.00 103.57 MOL3 O ATOM 9820 CSER G 153 −17.466 −73.878 20.074 1.00 94.68 MOL3 C ATOM 9821 O SER G 153−17.938 −72.850 19.591 1.00 92.19 MOL3 O ATOM 9822 N GLU G 154 −16.393−74.481 19.584 1.00 94.33 MOL3 N ATOM 9823 CA GLU G 154 −15.666 −73.97318.431 1.00 94.79 MOL3 C ATOM 9824 CB GLU G 154 −14.354 −74.758 18.3011.00 102.83 MOL3 C ATOM 9825 CG GLU G 154 −13.459 −74.392 17.127 1.00110.04 MOL3 C ATOM 9826 CD GLU G 154 −12.185 −75.219 17.110 1.00 114.65MOL3 C ATOM 9827 OE1 GLU G 154 −12.284 −76.463 17.013 1.00 115.83 MOL3 OATOM 9828 OE2 GLU G 154 −11.087 −74.627 17.199 1.00 118.09 MOL3 O ATOM9829 C GLU G 154 −16.479 −74.061 17.135 1.00 94.30 MOL3 C ATOM 9830 OGLU G 154 −17.040 −75.112 16.806 1.00 95.73 MOL3 O ATOM 9831 N ARG G 155−16.549 −72.947 16.410 1.00 92.64 MOL3 N ATOM 9832 CA ARG G 155 −17.266−72.905 15.139 1.00 93.70 MOL3 C ATOM 9833 CB ARG G 155 −18.348 −71.82315.160 1.00 100.45 MOL3 C ATOM 9834 CG ARG G 155 −19.171 −71.729 13.8721.00 109.67 MOL3 C ATOM 9835 CD ARG G 155 −19.914 −73.029 13.582 1.00123.25 MOL3 C ATOM 9836 NE ARG G 155 −20.850 −72.903 12.463 1.00 134.78MOL3 N ATOM 9837 CZ ARG G 155 −21.639 −73.884 12.024 1.00 138.84 MOL3 CATOM 9838 NH1 ARG G 155 −21.613 −75.078 12.608 1.00 138.39 MOL3 N ATOM9839 NH2 ARG G 155 −22.459 −73.672 11.000 1.00 139.22 MOL3 N ATOM 9840 CARG G 155 −16.260 −72.600 14.041 1.00 91.55 MOL3 C ATOM 9841 O ARG G 155−15.385 −71.748 14.215 1.00 92.19 MOL3 O ATOM 9842 N GLN G 156 −16.376−73.288 12.912 1.00 87.81 MOL3 N ATOM 9843 CA GLN G 156 −15.440 −73.05611.830 1.00 90.55 MOL3 C ATOM 9844 CB GLN G 156 −14.591 −74.308 11.6241.00 95.83 MOL3 C ATOM 9845 CG GLN G 156 −14.291 −75.037 12.923 1.00100.09 MOL3 C ATOM 9846 CD GLN G 156 −13.026 −75.863 12.854 1.00 102.50MOL3 C ATOM 9847 OE1 GLN G 156 −12.863 −76.711 11.973 1.00 103.44 MOL3 OATOM 9848 NE2 GLN G 156 −12.119 −75.619 13.791 1.00 102.22 MOL3 N ATOM9849 C GLN G 156 −16.169 −72.689 10.551 1.00 91.14 MOL3 C ATOM 9850 OGLN G 156 −15.755 −71.786 9.824 1.00 93.38 MOL3 O ATOM 9851 N ASN G 157−17.264 −73.389 10.290 1.00 92.22 MOL3 N ATOM 9852 CA ASN G 157 −18.072−73.167 9.098 1.00 93.67 MOL3 C ATOM 9853 CB ASN G 157 −19.184 −74.2179.050 1.00 103.01 MOL3 C ATOM 9854 CG ASN G 157 −19.000 −75.313 10.1041.00 113.70 MOL3 C ATOM 9855 OD1 ASN G 157 −18.963 −75.041 11.310 1.00116.52 MOL3 O ATOM 9856 ND2 ASN G 157 −18.879 −76.558 9.650 1.00 120.16MOL3 N ATOM 9857 C ASN G 157 −18.690 −71.775 9.124 1.00 91.09 MOL3 CATOM 9858 O ASN G 157 −19.125 −71.302 10.172 1.00 90.64 MOL3 O ATOM 9859N GLY G 158 −18.733 −71.119 7.971 1.00 88.90 MOL3 N ATOM 9860 CA GLY G158 −19.320 −69.794 7.915 1.00 85.15 MOL3 C ATOM 9861 C GLY G 158−18.383 −68.697 8.376 1.00 83.29 MOL3 C ATOM 9862 O GLY G 158 −18.819−67.627 8.795 1.00 84.35 MOL3 O ATOM 9863 N VAL G 159 −17.086 −68.9558.312 1.00 80.65 MOL3 N ATOM 9864 CA VAL G 159 −16.131 −67.943 8.7151.00 77.65 MOL3 C ATOM 9865 CB VAL G 159 −15.233 −68.440 9.841 1.0079.21 MOL3 C ATOM 9866 CG1 VAL G 159 −14.099 −67.454 10.057 1.00 82.28MOL3 C ATOM 9867 CG2 VAL G 159 −16.051 −68.590 11.113 1.00 76.09 MOL3 CATOM 9868 C VAL G 159 −15.270 −67.503 7.542 1.00 76.70 MOL3 C ATOM 9869O VAL G 159 −14.730 −68.332 6.805 1.00 78.83 MOL3 O ATOM 9870 N LEU G160 −15.166 −66.191 7.361 1.00 72.58 MOL3 N ATOM 9871 CA LEU G 160−14.370 −65.636 6.278 1.00 69.53 MOL3 C ATOM 9872 CB LEU G 160 −15.273−64.953 5.251 1.00 65.42 MOL3 C ATOM 9873 CG LEU G 160 −15.965 −65.9364.300 1.00 67.82 MOL3 C ATOM 9874 CD1 LEU G 160 −16.960 −65.220 3.3961.00 68.08 MOL3 C ATOM 9875 CD2 LEU G 160 −14.904 −66.629 3.458 1.0073.53 MOL3 C ATOM 9876 C LEU G 160 −13.318 −64.669 6.795 1.00 70.51 MOL3C ATOM 9877 O LEU G 160 −13.617 −63.708 7.510 1.00 77.01 MOL3 O ATOM9878 N ASN G 161 −12.073 −64.930 6.430 1.00 66.58 MOL3 N ATOM 9879 CAASN G 161 −11.001 −64.076 6.881 1.00 67.48 MOL3 C ATOM 9880 CB ASN G 161−10.018 −64.905 7.679 1.00 70.89 MOL3 C ATOM 9881 CG ASN G 161 −10.684−65.600 8.832 1.00 75.10 MOL3 C ATOM 9882 OD1 ASN G 161 −11.721 −65.1469.317 1.00 77.22 MOL3 O ATOM 9883 ND2 ASN G 161 −10.097 −66.699 9.2911.00 78.58 MOL3 N ATOM 9884 C ASN G 161 −10.300 −63.327 5.764 1.00 67.68MOL3 C ATOM 9885 O ASN G 161 −10.274 −63.770 4.618 1.00 68.83 MOL3 OATOM 9886 N SER G 162 −9.748 −62.173 6.113 1.00 65.86 MOL3 N ATOM 9887CA SER G 162 −9.045 −61.348 5.156 1.00 65.92 MOL3 C ATOM 9888 CB SER G162 −9.997 −60.323 4.550 1.00 65.97 MOL3 C ATOM 9889 OG SER G 162 −9.422−59.716 3.404 1.00 78.43 MOL3 O ATOM 9890 C SER G 162 −7.907 −60.6485.878 1.00 67.24 MOL3 C ATOM 9891 O SER G 162 −8.121 −60.003 6.909 1.0070.91 MOL3 O ATOM 9892 N TRP G 163 −6.698 −60.789 5.338 1.00 66.24 MOL3N ATOM 9893 CA TRP G 163 −5.502 −60.181 5.920 1.00 64.80 MOL3 C ATOM9894 CB TRP G 163 −4.408 −61.248 6.071 1.00 68.16 MOL3 C ATOM 9895 CGTRP G 163 −4.822 −62.514 6.795 1.00 76.12 MOL3 C ATOM 9896 CD2 TRP G 163−5.513 −63.643 6.235 1.00 80.83 MOL3 C ATOM 9897 CE2 TRP G 163 −5.652−64.603 7.264 1.00 83.42 MOL3 C ATOM 9898 CE3 TRP G 163 −6.025 −63.9374.966 1.00 82.68 MOL3 C ATOM 9899 CD1 TRP G 163 −4.582 −62.830 8.1041.00 80.00 MOL3 C ATOM 9900 NE1 TRP G 163 −5.076 −64.084 8.394 1.0080.39 MOL3 N ATOM 9901 CZ2 TRP G 163 −6.281 −65.834 7.060 1.00 85.36MOL3 C ATOM 9902 CZ3 TRP G 163 −6.648 −65.160 4.766 1.00 84.45 MOL3 CATOM 9903 CH2 TRP G 163 −6.770 −66.092 5.807 1.00 87.80 MOL3 C ATOM 9904C TRP G 163 −4.982 −59.033 5.036 1.00 60.39 MOL3 C ATOM 9905 O TRP G 163−5.153 −59.050 3.818 1.00 60.85 MOL3 O ATOM 9906 N THR G 164 −4.342−58.045 5.650 1.00 56.00 MOL3 N ATOM 9907 CA THR G 164 −3.800 −56.9134.909 1.00 56.33 MOL3 C ATOM 9908 CB THR G 164 −4.027 −55.612 5.673 1.0054.45 MOL3 C ATOM 9909 OG1 THR G 164 −3.045 −55.487 6.712 1.00 41.34MOL3 O ATOM 9910 CG2 THR G 164 −5.413 −55.610 6.283 1.00 48.18 MOL3 CATOM 9911 C THR G 164 −2.292 −57.082 4.717 1.00 59.82 MOL3 C ATOM 9912 OTHR G 164 −1.705 −58.035 5.205 1.00 56.32 MOL3 O ATOM 9913 N ASP G 165−1.658 −56.166 3.999 1.00 68.37 MOL3 N ATOM 9914 CA ASP G 165 −0.215−56.272 3.819 1.00 72.80 MOL3 C ATOM 9915 CB ASP G 165 0.195 −55.9342.387 1.00 88.52 MOL3 C ATOM 9916 CG ASP G 165 0.372 −57.179 1.528 1.00101.27 MOL3 C ATOM 9917 OD1 ASP G 165 1.022 −58.140 2.009 1.00 108.00MOL3 O ATOM 9918 OD2 ASP G 165 −0.128 −57.195 0.378 1.00 107.68 MOL3 OATOM 9919 C ASP G 165 0.513 −55.375 4.803 1.00 68.97 MOL3 C ATOM 9920 OASP G 165 −0.095 −54.527 5.447 1.00 69.68 MOL3 O ATOM 9921 N GLN G 1661.817 −55.566 4.930 1.00 64.10 MOL3 N ATOM 9922 CA GLN G 166 2.572−54.768 5.880 1.00 66.76 MOL3 C ATOM 9923 CB GLN G 166 4.072 −54.9715.684 1.00 70.21 MOL3 C ATOM 9924 CG GLN G 166 4.544 −56.407 5.851 1.0069.53 MOL3 C ATOM 9925 CD GLN G 166 5.937 −56.477 6.448 1.00 69.81 MOL3C ATOM 9926 OE1 GLN G 166 6.139 −56.096 7.598 1.00 68.78 MOL3 O ATOM9927 NE2 GLN G 166 6.903 −56.949 5.669 1.00 66.64 MOL3 N ATOM 9928 C GLNG 166 2.234 −53.286 5.792 1.00 68.28 MOL3 C ATOM 9929 O GLN G 166 2.546−52.622 4.806 1.00 76.25 MOL3 O ATOM 9930 N ASP G 167 1.588 −52.7806.837 1.00 67.95 MOL3 N ATOM 9931 CA ASP G 167 1.176 −51.380 6.925 1.0072.67 MOL3 C ATOM 9932 CB ASP G 167 0.516 −51.125 8.284 1.00 75.03 MOL3C ATOM 9933 CG ASP G 167 0.059 −49.683 8.463 1.00 79.58 MOL3 C ATOM 9934OD1 ASP G 167 −0.983 −49.295 7.876 1.00 80.64 MOL3 O ATOM 9935 OD2 ASP G167 0.747 −48.939 9.198 1.00 79.05 MOL3 O ATOM 9936 C ASP G 167 2.353−50.438 6.779 1.00 74.31 MOL3 C ATOM 9937 O ASP G 167 3.114 −50.2867.716 1.00 76.93 MOL3 O ATOM 9938 N SER G 168 2.481 −49.800 5.616 1.0079.70 MOL3 N ATOM 9939 CA SER G 168 3.563 −48.851 5.322 1.00 82.79 MOL3C ATOM 9940 CB SER G 168 3.085 −47.838 4.290 1.00 86.90 MOL3 C ATOM 9941OG SER G 168 2.048 −47.042 4.840 1.00 93.16 MOL3 O ATOM 9942 C SER G 1684.104 −48.080 6.530 1.00 83.03 MOL3 C ATOM 9943 O SER G 168 5.310−47.868 6.651 1.00 86.44 MOL3 O ATOM 9944 N LYS G 169 3.209 −47.6467.409 1.00 81.18 MOL3 N ATOM 9945 CA LYS G 169 3.594 −46.903 8.606 1.0086.39 MOL3 C ATOM 9946 CB LYS G 169 2.340 −46.462 9.375 1.00 92.95 MOL3C ATOM 9947 CG LYS G 169 1.747 −45.123 8.946 1.00 106.84 MOL3 C ATOM9948 CD LYS G 169 2.542 −43.944 9.520 1.00 112.36 MOL3 C ATOM 9949 CELYS G 169 2.008 −42.599 9.026 1.00 113.28 MOL3 C ATOM 9950 NZ LYS G 1692.110 −42.459 7.540 1.00 112.32 MOL3 N ATOM 9951 C LYS G 169 4.492−47.692 9.565 1.00 86.36 MOL3 C ATOM 9952 O LYS G 169 5.699 −47.4469.655 1.00 88.48 MOL3 O ATOM 9953 N ASP G 170 3.888 −48.642 10.281 1.0082.00 MOL3 N ATOM 9954 CA ASP G 170 4.612 −49.451 11.264 1.00 70.61 MOL3C ATOM 9955 CB ASP G 170 3.832 −49.494 12.566 1.00 71.34 MOL3 C ATOM9956 CG ASP G 170 2.594 −50.323 12.450 1.00 74.59 MOL3 C ATOM 9957 OD1ASP G 170 1.832 −50.374 13.439 1.00 79.81 MOL3 O ATOM 9958 OD2 ASP G 1702.393 −50.924 11.365 1.00 65.94 MOL3 O ATOM 9959 C ASP G 170 4.950−50.886 10.860 1.00 62.81 MOL3 C ATOM 9960 O ASP G 170 5.218 −51.72411.707 1.00 56.54 MOL3 O ATOM 9961 N SER G 171 4.929 −51.174 9.571 1.0062.07 MOL3 N ATOM 9962 CA SER G 171 5.273 −52.508 9.086 1.00 58.38 MOL3C ATOM 9963 CB SER G 171 6.782 −52.725 9.214 1.00 50.52 MOL3 C ATOM 9964OG SER G 171 7.489 −51.576 8.807 1.00 49.85 MOL3 O ATOM 9965 C SER G 1714.561 −53.681 9.774 1.00 57.67 MOL3 C ATOM 9966 O SER G 171 5.067−54.800 9.736 1.00 58.28 MOL3 O ATOM 9967 N THR G 172 3.406 −53.44610.397 1.00 54.13 MOL3 N ATOM 9968 CA THR G 172 2.664 −54.527 11.0631.00 53.93 MOL3 C ATOM 9969 CB THR G 172 1.859 −54.026 12.256 1.00 58.95MOL3 C ATOM 9970 OG1 THR G 172 0.843 −53.126 11.793 1.00 57.39 MOL3 OATOM 9971 CG2 THR G 172 2.758 −53.332 13.257 1.00 69.20 MOL3 C ATOM 9972C THR G 172 1.639 −55.170 10.144 1.00 53.31 MOL3 C ATOM 9973 O THR G 1721.560 −54.837 8.973 1.00 66.87 MOL3 O ATOM 9974 N TYR G 173 0.836−56.080 10.685 1.00 48.31 MOL3 N ATOM 9975 CA TYR G 173 −0.211 −56.7429.911 1.00 47.98 MOL3 C ATOM 9976 CB TYR G 173 0.036 −58.239 9.835 1.0043.77 MOL3 C ATOM 9977 CG TYR G 173 1.259 −58.612 9.060 1.00 44.45 MOL3C ATOM 9978 CD1 TYR G 173 2.425 −58.940 9.697 1.00 48.66 MOL3 C ATOM9979 CE1 TYR G 173 3.559 −59.283 8.982 1.00 61.26 MOL3 C ATOM 9980 CD2TYR G 173 1.246 −58.630 7.681 1.00 52.61 MOL3 C ATOM 9981 CE2 TYR G 1732.374 −58.967 6.948 1.00 59.87 MOL3 C ATOM 9982 CZ TYR G 173 3.533−59.295 7.605 1.00 62.30 MOL3 C ATOM 9983 OH TYR G 173 4.672 −59.6346.897 1.00 63.25 MOL3 O ATOM 9984 C TYR G 173 −1.567 −56.517 10.557 1.0050.67 MOL3 C ATOM 9985 O TYR G 173 −1.649 −55.969 11.650 1.00 58.20 MOL3O ATOM 9986 N SER G 174 −2.628 −56.948 9.883 1.00 48.70 MOL3 N ATOM 9987CA SER G 174 −3.988 −56.805 10.400 1.00 50.67 MOL3 C ATOM 9988 CB SER G174 −4.544 −55.400 10.147 1.00 50.56 MOL3 C ATOM 9989 OG SER G 174−4.494 −54.599 11.311 1.00 52.36 MOL3 O ATOM 9990 C SER G 174 −4.886−57.806 9.710 1.00 51.11 MOL3 C ATOM 9991 O SER G 174 −4.674 −58.1388.550 1.00 52.00 MOL3 O ATOM 9992 N MET G 175 −5.898 −58.280 10.423 1.0053.77 MOL3 N ATOM 9993 CA MET G 175 −6.830 −59.247 9.864 1.00 51.80 MOL3C ATOM 9994 CB MET G 175 −6.387 −60.659 10.206 1.00 55.64 MOL3 C ATOM9995 CG MET G 175 −7.512 −61.550 10.678 1.00 61.16 MOL3 C ATOM 9996 SDMET G 175 −6.922 −63.203 11.089 1.00 65.42 MOL3 S ATOM 9997 CE MET G 175−8.312 −64.181 10.519 1.00 62.23 MOL3 C ATOM 9998 C MET G 175 −8.251−59.038 10.348 1.00 53.07 MOL3 C ATOM 9999 O MET G 175 −8.491 −58.57311.470 1.00 51.37 MOL3 O ATOM 10000 N SER G 176 −9.193 −59.406 9.4921.00 52.08 MOL3 N ATOM 10001 CA SER G 176 −10.600 −59.251 9.805 1.0056.47 MOL3 C ATOM 10002 CB SER G 176 −11.217 −58.188 8.907 1.00 52.46MOL3 C ATOM 10003 OG SER G 176 −12.607 −58.410 8.761 1.00 55.22 MOL3 OATOM 10004 C SER G 176 −11.398 −60.530 9.647 1.00 62.89 MOL3 C ATOM10005 O SER G 176 −11.744 −60.919 8.525 1.00 63.70 MOL3 O ATOM 10006 NSER G 177 −11.711 −61.173 10.771 1.00 67.40 MOL3 N ATOM 10007 CA SER G177 −12.504 −62.403 10.746 1.00 65.51 MOL3 C ATOM 10008 CB SER G 177−12.038 −63.372 11.830 1.00 67.97 MOL3 C ATOM 10009 OG SER G 177 −12.620−64.648 11.628 1.00 69.26 MOL3 O ATOM 10010 C SER G 177 −13.980 −62.07810.953 1.00 62.13 MOL3 C ATOM 10011 O SER G 177 −14.354 −61.357 11.8771.00 57.16 MOL3 O ATOM 10012 N THR G 178 −14.814 −62.633 10.088 1.0064.74 MOL3 N ATOM 10013 CA THR G 178 −16.249 −62.391 10.129 1.00 71.96MOL3 C ATOM 10014 CB THR G 178 −16.683 −61.613 8.857 1.00 75.70 MOL3 CATOM 10015 OG1 THR G 178 −16.030 −60.336 8.829 1.00 76.12 MOL3 O ATOM10016 CG2 THR G 178 −18.195 −61.443 8.811 1.00 73.86 MOL3 C ATOM 10017 CTHR G 178 −17.072 −63.683 10.213 1.00 72.48 MOL3 C ATOM 10018 O THR G178 −17.084 −64.490 9.281 1.00 73.46 MOL3 O ATOM 10019 N LEU G 179−17.765 −63.877 11.327 1.00 72.44 MOL3 N ATOM 10020 CA LEU G 179 −18.606−65.056 11.494 1.00 73.90 MOL3 C ATOM 10021 CB LEU G 179 −18.697 −65.43312.974 1.00 68.50 MOL3 C ATOM 10022 CG LEU G 179 −19.314 −66.790 13.3101.00 58.82 MOL3 C ATOM 10023 CD1 LEU G 179 −19.602 −66.819 14.790 1.0047.08 MOL3 C ATOM 10024 CD2 LEU G 179 −20.581 −67.025 12.506 1.00 45.68MOL3 C ATOM 10025 C LEU G 179 −20.002 −64.718 10.968 1.00 76.98 MOL3 CATOM 10026 O LEU G 179 −20.728 −63.922 11.567 1.00 76.00 MOL3 O ATOM10027 N THR G 180 −20.380 −65.319 9.849 1.00 80.86 MOL3 N ATOM 10028 CATHR G 180 −21.694 −65.052 9.286 1.00 86.01 MOL3 C ATOM 10029 CB THR G180 −21.614 −64.782 7.772 1.00 90.77 MOL3 C ATOM 10030 OG1 THR G 180−20.824 −63.605 7.537 1.00 95.99 MOL3 O ATOM 10031 CG2 THR G 180 −23.006−64.576 7.199 1.00 89.94 MOL3 C ATOM 10032 C THR G 180 −22.652 −66.2059.554 1.00 88.98 MOL3 C ATOM 10033 O THR G 180 −22.431 −67.346 9.1401.00 90.30 MOL3 O ATOM 10034 N LEU G 181 −23.722 −65.874 10.266 1.0093.59 MOL3 N ATOM 10035 CA LEU G 181 −24.768 −66.813 10.663 1.00 96.51MOL3 C ATOM 10036 CB LEU G 181 −24.936 −66.802 12.181 1.00 91.11 MOL3 CATOM 10037 CG LEU G 181 −23.812 −67.221 13.108 1.00 90.42 MOL3 C ATOM10038 CD1 LEU G 181 −24.134 −66.766 14.525 1.00 86.50 MOL3 C ATOM 10039CD2 LEU G 181 −23.645 −68.735 13.029 1.00 96.53 MOL3 C ATOM 10040 C LEUG 181 −26.103 −66.368 10.095 1.00 100.13 MOL3 C ATOM 10041 O LEU G 181−26.216 −65.306 9.477 1.00 98.69 MOL3 O ATOM 10042 N THR G 182 −27.125−67.181 10.340 1.00 105.38 MOL3 N ATOM 10043 CA THR G 182 −28.477−66.844 9.914 1.00 107.74 MOL3 C ATOM 10044 CB THR G 182 −29.257 −68.0749.395 1.00 110.79 MOL3 C ATOM 10045 OG1 THR G 182 −30.540 −67.644 8.9151.00 109.92 MOL3 O ATOM 10046 CG2 THR G 182 −29.438 −69.123 10.507 1.00108.26 MOL3 C ATOM 10047 C THR G 182 −29.171 −66.309 11.163 1.00 107.32MOL3 C ATOM 10048 O THR G 182 −28.976 −66.841 12.259 1.00 109.13 MOL3 OATOM 10049 N LYS G 183 −29.967 −65.258 11.001 1.00 104.23 MOL3 N ATOM10050 CA LYS G 183 −30.668 −64.653 12.129 1.00 104.07 MOL3 C ATOM 10051CB LYS G 183 −31.821 −63.787 11.612 1.00 102.44 MOL3 C ATOM 10052 CG LYSG 183 −32.242 −62.680 12.572 1.00 105.36 MOL3 C ATOM 10053 CD LYS G 183−33.511 −61.955 12.110 1.00 109.07 MOL3 C ATOM 10054 CE LYS G 183−34.050 −61.024 13.207 1.00 110.44 MOL3 C ATOM 10055 NZ LYS G 183−35.418 −60.484 12.935 1.00 107.50 MOL3 N ATOM 10056 C LYS G 183 −31.194−65.718 13.102 1.00 105.08 MOL3 C ATOM 10057 O LYS G 183 −31.237 −65.50514.319 1.00 102.43 MOL3 O ATOM 10058 N ASP G 184 −31.580 −66.870 12.5591.00 105.91 MOL3 N ATOM 10059 CA ASP G 184 −32.094 −67.967 13.373 1.00107.91 MOL3 C ATOM 10060 CB ASP G 184 −32.557 −69.140 12.498 1.00 117.94MOL3 C ATOM 10061 CG ASP G 184 −33.616 −68.747 11.486 1.00 126.79 MOL3 CATOM 10062 OD1 ASP G 184 −34.290 −67.708 11.690 1.00 127.71 MOL3 O ATOM10063 OD2 ASP G 184 −33.777 −69.497 10.491 1.00 128.78 MOL3 O ATOM 10064C ASP G 184 −31.043 −68.494 14.341 1.00 104.94 MOL3 C ATOM 10065 O ASP G184 −31.191 −68.358 15.558 1.00 104.52 MOL3 O ATOM 10066 N GLU G 185−29.991 −69.102 13.789 1.00 101.31 MOL3 N ATOM 10067 CA GLU G 185−28.907 −69.688 14.584 1.00 98.96 MOL3 C ATOM 10068 CB GLU G 185 −27.840−70.296 13.650 1.00 108.09 MOL3 C ATOM 10069 CG GLU G 185 −26.705−71.111 14.332 1.00 117.38 MOL3 C ATOM 10070 CD GLU G 185 −27.117−72.518 14.798 1.00 123.07 MOL3 C ATOM 10071 OE1 GLU G 185 −26.212−73.311 15.148 1.00 124.88 MOL3 O ATOM 10072 OE2 GLU G 185 −28.328−72.835 14.823 1.00 125.11 MOL3 O ATOM 10073 C GLU G 185 −28.282 −68.66115.536 1.00 93.54 MOL3 C ATOM 10074 O GLU G 185 −27.782 −69.011 16.6101.00 89.75 MOL3 O ATOM 10075 N TYR G 186 −28.325 −67.394 15.141 1.0088.78 MOL3 N ATOM 10076 CA TYR G 186 −27.785 −66.304 15.944 1.00 86.97MOL3 C ATOM 10077 CB TYR G 186 −27.950 −64.989 15.161 1.00 82.46 MOL3 CATOM 10078 CG TYR G 186 −27.565 −63.729 15.910 1.00 77.50 MOL3 C ATOM10079 CD1 TYR G 186 −28.173 −62.518 15.618 1.00 73.38 MOL3 C ATOM 10080CE1 TYR G 186 −27.861 −61.371 16.324 1.00 70.40 MOL3 C ATOM 10081 CD2TYR G 186 −26.623 −63.754 16.925 1.00 75.60 MOL3 C ATOM 10082 CE2 TYR G186 −26.306 −62.613 17.634 1.00 73.45 MOL3 C ATOM 10083 CZ TYR G 186−26.930 −61.427 17.334 1.00 73.00 MOL3 C ATOM 10084 OH TYR G 186 −26.645−60.304 18.078 1.00 75.84 MOL3 O ATOM 10085 C TYR G 186 −28.556 −66.23317.262 1.00 88.23 MOL3 C ATOM 10086 O TYR G 186 −27.981 −66.039 18.3331.00 88.50 MOL3 O ATOM 10087 N GLU G 187 −29.868 −66.402 17.157 1.0091.02 MOL3 N ATOM 10088 CA GLU G 187 −30.778 −66.351 18.297 1.00 94.93MOL3 C ATOM 10089 CB GLU G 187 −32.207 −66.253 17.766 1.00 102.44 MOL3 CATOM 10090 CG GLU G 187 −32.416 −65.167 16.721 1.00 105.29 MOL3 C ATOM10091 CD GLU G 187 −32.148 −63.778 17.267 1.00 110.80 MOL3 C ATOM 10092OE1 GLU G 187 −32.541 −62.790 16.608 1.00 112.95 MOL3 O ATOM 10093 OE2GLU G 187 −31.541 −63.671 18.355 1.00 110.62 MOL3 O ATOM 10094 C GLU G187 −30.676 −67.550 19.252 1.00 94.53 MOL3 C ATOM 10095 O GLU G 187−30.734 −67.401 20.477 1.00 88.00 MOL3 O ATOM 10096 N ARG G 188 −30.537−68.736 18.668 1.00 96.61 MOL3 N ATOM 10097 CA ARG G 188 −30.443 −69.98519.415 1.00 101.16 MOL3 C ATOM 10098 CB ARG G 188 −30.269 −71.148 18.4191.00 104.44 MOL3 C ATOM 10099 CG ARG G 188 −31.359 −71.174 17.348 1.00110.74 MOL3 C ATOM 10100 CD ARG G 188 −30.994 −72.003 16.116 1.00 120.65MOL3 C ATOM 10101 NE ARG G 188 −31.985 −71.825 15.047 1.00 132.41 MOL3 NATOM 10102 CZ ARG G 188 −31.869 −72.307 13.808 1.00 138.16 MOL3 C ATOM10103 NH1 ARG G 188 −30.797 −73.009 13.458 1.00 140.93 MOL3 N ATOM 10104NH2 ARG G 188 −32.829 −72.085 12.913 1.00 137.85 MOL3 N ATOM 10105 C ARGG 188 −29.336 −70.007 20.486 1.00 103.12 MOL3 C ATOM 10106 O ARG G 188−29.368 −70.847 21.394 1.00 107.79 MOL3 O ATOM 10107 N HIS G 189 −28.369−69.094 20.403 1.00 99.75 MOL3 N ATOM 10108 CA HIS G 189 −27.293 −69.07121.393 1.00 98.72 MOL3 C ATOM 10109 CB HIS G 189 −26.008 −69.609 20.7731.00 106.66 MOL3 C ATOM 10110 CG HIS G 189 −26.170 −70.941 20.109 1.00115.83 MOL3 C ATOM 10111 CD2 HIS G 189 −25.758 −72.179 20.475 1.00120.97 MOL3 C ATOM 10112 ND1 HIS G 189 −26.831 −71.099 18.909 1.00119.62 MOL3 N ATOM 10113 CE1 HIS G 189 −26.818 −72.375 18.564 1.00122.11 MOL3 C ATOM 10114 NE2 HIS G 189 −26.173 −73.051 19.497 1.00124.75 MOL3 N ATOM 10115 C HIS G 189 −27.065 −67.677 21.966 1.00 97.69MOL3 C ATOM 10116 O HIS G 189 −27.562 −66.694 21.418 1.00 96.04 MOL3 OATOM 10117 N ASN G 190 −26.317 −67.581 23.064 1.00 97.69 MOL3 N ATOM10118 CA ASN G 190 −26.090 −66.271 23.673 1.00 101.88 MOL3 C ATOM 10119CB ASN G 190 −26.754 −66.199 25.066 1.00 111.52 MOL3 C ATOM 10120 CG ASNG 190 −26.257 −67.279 26.033 1.00 118.94 MOL3 C ATOM 10121 OD1 ASN G 190−25.113 −67.242 26.503 1.00 121.56 MOL3 O ATOM 10122 ND2 ASN G 190−27.129 −68.240 26.342 1.00 118.18 MOL3 N ATOM 10123 C ASN G 190 −24.658−65.739 23.755 1.00 101.17 MOL3 C ATOM 10124 O ASN G 190 −24.443 −64.54423.542 1.00 98.80 MOL3 O ATOM 10125 N SER G 191 −23.682 −66.600 24.0511.00 101.74 MOL3 N ATOM 10126 CA SER G 191 −22.289 −66.148 24.155 1.0099.25 MOL3 C ATOM 10127 CB SER G 191 −21.549 −66.894 25.280 1.00 103.81MOL3 C ATOM 10128 OG SER G 191 −21.036 −68.143 24.845 1.00 107.17 MOL3 OATOM 10129 C SER G 191 −21.504 −66.288 22.849 1.00 95.81 MOL3 C ATOM10130 O SER G 191 −21.521 −67.340 22.197 1.00 92.47 MOL3 O ATOM 10131 NTYR G 192 −20.810 −65.207 22.495 1.00 93.09 MOL3 N ATOM 10132 CA TYR G192 −20.004 −65.120 21.277 1.00 87.50 MOL3 C ATOM 10133 CB TYR G 192−20.645 −64.109 20.328 1.00 85.26 MOL3 C ATOM 10134 CG TYR G 192 −21.857−64.646 19.624 1.00 84.55 MOL3 C ATOM 10135 CD1 TYR G 192 −23.026−63.913 19.552 1.00 83.90 MOL3 C ATOM 10136 CE1 TYR G 192 −24.122−64.393 18.861 1.00 83.21 MOL3 C ATOM 10137 CD2 TYR G 192 −21.816−65.877 18.991 1.00 86.20 MOL3 C ATOM 10138 CE2 TYR G 192 −22.903−66.362 18.297 1.00 85.84 MOL3 C ATOM 10139 CZ TYR G 192 −24.055 −65.61818.229 1.00 84.00 MOL3 C ATOM 10140 OH TYR G 192 −25.121 −66.094 17.4931.00 77.64 MOL3 O ATOM 10141 C TYR G 192 −18.575 −64.676 21.568 1.0082.36 MOL3 C ATOM 10142 O TYR G 192 −18.354 −63.550 22.011 1.00 74.42MOL3 O ATOM 10143 N THR G 193 −17.604 −65.547 21.319 1.00 81.47 MOL3 NATOM 10144 CA THR G 193 −16.225 −65.165 21.564 1.00 82.88 MOL3 C ATOM10145 CB THR G 193 −15.598 −65.942 22.746 1.00 84.76 MOL3 C ATOM 10146OG1 THR G 193 −15.403 −67.308 22.367 1.00 92.41 MOL3 O ATOM 10147 CG2THR G 193 −16.501 −65.899 23.964 1.00 86.43 MOL3 C ATOM 10148 C THR G193 −15.337 −65.351 20.335 1.00 83.61 MOL3 C ATOM 10149 O THR G 193−15.567 −66.204 19.463 1.00 76.78 MOL3 O ATOM 10150 N CYS G 194 −14.309−64.518 20.298 1.00 86.39 MOL3 N ATOM 10151 CA CYS G 194 −13.326 −64.48919.236 1.00 84.64 MOL3 C ATOM 10152 C CYS G 194 −11.977 −64.646 19.9591.00 83.31 MOL3 C ATOM 10153 O CYS G 194 −11.527 −63.745 20.670 1.0079.54 MOL3 O ATOM 10154 CB CYS G 194 −13.474 −63.143 18.519 1.00 82.79MOL3 C ATOM 10155 SG CYS G 194 −12.135 −62.657 17.402 1.00 90.85 MOL3 SATOM 10156 N GLU G 195 −11.357 −65.812 19.793 1.00 83.79 MOL3 N ATOM10157 CA GLU G 195 −10.098 −66.126 20.461 1.00 85.48 MOL3 C ATOM 10158CB GLU G 195 −10.225 −67.519 21.088 1.00 96.62 MOL3 C ATOM 10159 CG GLUG 195 −9.171 −67.893 22.116 1.00 106.95 MOL3 C ATOM 10160 CD GLU G 195−9.346 −69.322 22.613 1.00 112.29 MOL3 C ATOM 10161 OE1 GLU G 195 −9.191−70.258 21.796 1.00 111.34 MOL3 O ATOM 10162 OE2 GLU G 195 −9.646−69.508 23.816 1.00 117.09 MOL3 O ATOM 10163 C GLU G 195 −8.906 −66.07519.503 1.00 82.05 MOL3 C ATOM 10164 O GLU G 195 −8.790 −66.886 18.5791.00 76.55 MOL3 O ATOM 10165 N ALA G 196 −8.013 −65.124 19.743 1.0079.13 MOL3 N ATOM 10166 CA ALA G 196 −6.848 −64.961 18.894 1.00 76.76MOL3 C ATOM 10167 CB ALA G 196 −6.714 −63.504 18.491 1.00 82.89 MOL3 CATOM 10168 C ALA G 196 −5.567 −65.437 19.558 1.00 74.35 MOL3 C ATOM10169 O ALA G 196 −5.144 −64.892 20.584 1.00 72.00 MOL3 O ATOM 10170 NTHR G 197 −4.948 −66.451 18.965 1.00 70.32 MOL3 N ATOM 10171 CA THR G197 −3.704 −66.970 19.498 1.00 71.07 MOL3 C ATOM 10172 CB THR G 197−3.787 −68.487 19.597 1.00 77.77 MOL3 C ATOM 10173 OG1 THR G 197 −2.517−69.003 20.010 1.00 89.33 MOL3 O ATOM 10174 CG2 THR G 197 −4.228 −69.08418.266 1.00 82.46 MOL3 C ATOM 10175 C THR G 197 −2.499 −66.494 18.6571.00 65.77 MOL3 C ATOM 10176 O THR G 197 −2.459 −66.648 17.432 1.0061.20 MOL3 O ATOM 10177 N HIS G 198 −1.517 −65.910 19.341 1.00 63.27MOL3 N ATOM 10178 CA HIS G 198 −0.356 −65.341 18.679 1.00 61.38 MOL3 CATOM 10179 CB HIS G 198 −0.638 −63.860 18.447 1.00 60.91 MOL3 C ATOM10180 CG HIS G 198 0.358 −63.187 17.567 1.00 69.52 MOL3 C ATOM 10181 CD2HIS G 198 1.128 −62.092 17.767 1.00 69.32 MOL3 C ATOM 10182 ND1 HIS G198 0.648 −63.636 16.296 1.00 71.63 MOL3 N ATOM 10183 CE1 HIS G 1981.556 −62.846 15.751 1.00 77.19 MOL3 C ATOM 10184 NE2 HIS G 198 1.864−61.901 16.623 1.00 76.10 MOL3 N ATOM 10185 C HIS G 198 0.986 −65.50819.409 1.00 58.64 MOL3 C ATOM 10186 O HIS G 198 1.064 −65.443 20.6271.00 55.62 MOL3 O ATOM 10187 N LYS G 199 2.041 −65.712 18.630 1.00 61.35MOL3 N ATOM 10188 CA LYS G 199 3.400 −65.882 19.136 1.00 60.15 MOL3 CATOM 10189 CB LYS G 199 4.402 −65.647 17.992 1.00 62.47 MOL3 C ATOM10190 CG LYS G 199 5.857 −65.529 18.439 1.00 65.67 MOL3 C ATOM 10191 CDLYS G 199 6.779 −65.126 17.299 1.00 64.96 MOL3 C ATOM 10192 CE LYS G 1996.775 −66.158 16.187 1.00 69.07 MOL3 C ATOM 10193 NZ LYS G 199 7.322−67.468 16.637 1.00 72.23 MOL3 N ATOM 10194 C LYS G 199 3.757 −64.96920.312 1.00 59.42 MOL3 C ATOM 10195 O LYS G 199 4.593 −65.326 21.1441.00 60.57 MOL3 O ATOM 10196 N THR G 200 3.129 −63.798 20.374 1.00 57.91MOL3 N ATOM 10197 CA THR G 200 3.394 −62.822 21.431 1.00 63.29 MOL3 CATOM 10198 CB THR G 200 2.626 −61.515 21.200 1.00 67.33 MOL3 C ATOM10199 OG1 THR G 200 1.234 −61.807 20.997 1.00 73.03 MOL3 O ATOM 10200CG2 THR G 200 3.189 −60.775 20.011 1.00 73.14 MOL3 C ATOM 10201 C THR G200 3.037 −63.276 22.839 1.00 68.06 MOL3 C ATOM 10202 O THR G 200 3.555−62.727 23.821 1.00 64.89 MOL3 O ATOM 10203 N SER G 201 2.132 −64.25022.941 1.00 73.50 MOL3 N ATOM 10204 CA SER G 201 1.714 −64.753 24.2471.00 74.67 MOL3 C ATOM 10205 CB SER G 201 0.534 −63.945 24.789 1.0082.63 MOL3 C ATOM 10206 OG SER G 201 0.280 −64.276 26.147 1.00 89.89MOL3 O ATOM 10207 C SER G 201 1.344 −66.227 24.253 1.00 71.10 MOL3 CATOM 10208 O SER G 201 0.992 −66.807 23.227 1.00 69.80 MOL3 O ATOM 10209N THR G 202 1.434 −66.811 25.443 1.00 69.54 MOL3 N ATOM 10210 CA THR G202 1.135 −68.216 25.684 1.00 65.82 MOL3 C ATOM 10211 CB THR G 202 1.889−68.733 26.934 1.00 64.23 MOL3 C ATOM 10212 OG1 THR G 202 1.654 −67.84128.034 1.00 63.14 MOL3 O ATOM 10213 CG2 THR G 202 3.383 −68.831 26.6681.00 57.12 MOL3 C ATOM 10214 C THR G 202 −0.352 −68.370 25.950 1.0065.86 MOL3 C ATOM 10215 O THR G 202 −0.910 −69.460 25.864 1.00 66.45MOL3 O ATOM 10216 N SER G 203 −0.988 −67.260 26.284 1.00 67.90 MOL3 NATOM 10217 CA SER G 203 −2.400 −67.276 26.589 1.00 74.26 MOL3 C ATOM10218 CB SER G 203 −2.615 −66.792 28.022 1.00 86.52 MOL3 C ATOM 10219 OGSER G 203 −1.850 −67.582 28.928 1.00 98.19 MOL3 O ATOM 10220 C SER G 203−3.117 −66.390 25.602 1.00 73.09 MOL3 C ATOM 10221 O SER G 203 −2.874−65.180 25.550 1.00 75.09 MOL3 O ATOM 10222 N PRO G 204 −4.018 −66.98924.804 1.00 70.86 MOL3 N ATOM 10223 CD PRO G 204 −4.427 −68.387 25.0071.00 67.00 MOL3 C ATOM 10224 CA PRO G 204 −4.842 −66.366 23.760 1.0067.61 MOL3 C ATOM 10225 CB PRO G 204 −5.745 −67.511 23.299 1.00 64.27MOL3 C ATOM 10226 CG PRO G 204 −5.844 −68.363 24.497 1.00 68.63 MOL3 CATOM 10227 C PRO G 204 −5.634 −65.139 24.186 1.00 65.42 MOL3 C ATOM10228 O PRO G 204 −6.176 −65.091 25.294 1.00 65.92 MOL3 O ATOM 10229 NILE G 205 −5.679 −64.142 23.301 1.00 63.63 MOL3 N ATOM 10230 CA ILE G205 −6.429 −62.921 23.571 1.00 61.97 MOL3 C ATOM 10231 CB ILE G 205−6.025 −61.735 22.666 1.00 58.63 MOL3 C ATOM 10232 CG2 ILE G 205 −6.863−60.528 23.044 1.00 52.45 MOL3 C ATOM 10233 CG1 ILE G 205 −4.531 −61.39522.814 1.00 61.60 MOL3 C ATOM 10234 CD1 ILE G 205 −4.220 −60.163 23.7011.00 58.09 MOL3 C ATOM 10235 C ILE G 205 −7.862 −63.266 23.235 1.0064.06 MOL3 C ATOM 10236 O ILE G 205 −8.161 −63.712 22.125 1.00 58.68MOL3 O ATOM 10237 N VAL G 206 −8.750 −63.068 24.198 1.00 71.48 MOL3 NATOM 10238 CA VAL G 206 −10.148 −63.387 23.985 1.00 78.37 MOL3 C ATOM10239 CB VAL G 206 −10.588 −64.517 24.915 1.00 81.01 MOL3 C ATOM 10240CG1 VAL G 206 −12.056 −64.852 24.669 1.00 84.85 MOL3 C ATOM 10241 CG2VAL G 206 −9.697 −65.731 24.690 1.00 86.24 MOL3 C ATOM 10242 C VAL G 206−11.068 −62.201 24.202 1.00 79.75 MOL3 C ATOM 10243 O VAL G 206 −10.978−61.504 25.218 1.00 82.00 MOL3 O ATOM 10244 N LYS G 207 −11.944 −61.97423.229 1.00 80.26 MOL3 N ATOM 10245 CA LYS G 207 −12.915 −60.896 23.2981.00 84.36 MOL3 C ATOM 10246 CB LYS G 207 −12.578 −59.794 22.295 1.0086.52 MOL3 C ATOM 10247 CG LYS G 207 −11.353 −58.973 22.673 1.00 98.47MOL3 C ATOM 10248 CD LYS G 207 −11.526 −58.294 24.037 1.00 111.91 MOL3 CATOM 10249 CE LYS G 207 −10.304 −57.448 24.421 1.00 116.09 MOL3 C ATOM10250 NZ LYS G 207 −10.490 −56.698 25.704 1.00 120.25 MOL3 N ATOM 10251C LYS G 207 −14.268 −61.506 22.972 1.00 88.09 MOL3 C ATOM 10252 O LYS G207 −14.384 −62.316 22.048 1.00 87.63 MOL3 O ATOM 10253 N SER G 208−15.287 −61.130 23.739 1.00 91.76 MOL3 N ATOM 10254 CA SER G 208 −16.626−61.667 23.528 1.00 91.34 MOL3 C ATOM 10255 CB SER G 208 −16.802 −62.95024.336 1.00 93.27 MOL3 C ATOM 10256 OG SER G 208 −16.601 −62.715 25.7221.00 92.76 MOL3 O ATOM 10257 C SER G 208 −17.720 −60.687 23.920 1.0091.18 MOL3 C ATOM 10258 O SER G 208 −17.450 −59.577 24.381 1.00 87.72MOL3 O ATOM 10259 N PHE G 209 −18.961 −61.119 23.732 1.00 92.63 MOL3 NATOM 10260 CA PHE G 209 −20.115 −60.304 24.073 1.00 97.21 MOL3 C ATOM10261 CB PHE G 209 −20.281 −59.167 23.057 1.00 95.06 MOL3 C ATOM 10262CG PHE G 209 −20.996 −59.572 21.793 1.00 93.57 MOL3 C ATOM 10263 CD1 PHEG 209 −22.350 −59.352 21.647 1.00 90.72 MOL3 C ATOM 10264 CD2 PHE G 209−20.315 −60.185 20.758 1.00 95.77 MOL3 C ATOM 10265 CE1 PHE G 209−23.009 −59.734 20.496 1.00 92.12 MOL3 C ATOM 10266 CE2 PHE G 209−20.973 −60.569 19.604 1.00 92.90 MOL3 C ATOM 10267 CZ PHE G 209 −22.321−60.343 19.475 1.00 91.92 MOL3 C ATOM 10268 C PHE G 209 −21.353 −61.19524.088 1.00 103.82 MOL3 C ATOM 10269 O PHE G 209 −21.449 −62.160 23.3141.00 102.26 MOL3 O ATOM 10270 N ASN G 210 −22.290 −60.873 24.978 1.00110.23 MOL3 N ATOM 10271 CA ASN G 210 −23.531 −61.633 25.117 1.00 117.84MOL3 C ATOM 10272 CB ASN G 210 −23.762 −61.980 26.594 1.00 123.10 MOL3 CATOM 10273 CG ASN G 210 −22.563 −62.675 27.228 1.00 129.22 MOL3 C ATOM10274 OD1 ASN G 210 −22.209 −63.796 26.852 1.00 133.16 MOL3 O ATOM 10275ND2 ASN G 210 −21.927 −62.007 28.190 1.00 129.15 MOL3 N ATOM 10276 C ASNG 210 −24.693 −60.789 24.602 1.00 120.46 MOL3 C ATOM 10277 O ASN G 210−24.560 −59.571 24.462 1.00 119.58 MOL3 O ATOM 10278 N ARG G 211 −25.829−61.423 24.320 1.00 124.75 MOL3 N ATOM 10279 CA ARG G 211 −26.979−60.670 23.839 1.00 130.59 MOL3 C ATOM 10280 CB ARG G 211 −27.890−61.539 22.977 1.00 131.16 MOL3 C ATOM 10281 CG ARG G 211 −27.566−61.483 21.503 1.00 130.04 MOL3 C ATOM 10282 CD ARG G 211 −27.004−62.801 21.041 1.00 133.22 MOL3 C ATOM 10283 NE ARG G 211 −27.930−63.897 21.313 1.00 137.59 MOL3 N ATOM 10284 CZ ARG G 211 −29.186−63.941 20.877 1.00 138.83 MOL3 C ATOM 10285 NH1 ARG G 211 −29.673−62.944 20.148 1.00 138.40 MOL3 N ATOM 10286 NH2 ARG G 211 −29.955−64.985 21.163 1.00 137.56 MOL3 N ATOM 10287 C ARG G 211 −27.795 −60.03524.958 1.00 137.45 MOL3 C ATOM 10288 O ARG G 211 −28.240 −60.705 25.9011.00 135.00 MOL3 O ATOM 10289 N ASN G 212 −27.967 −58.721 24.837 1.00146.87 MOL3 N ATOM 10290 CA ASN G 212 −28.733 −57.921 25.787 1.00 155.81MOL3 C ATOM 10291 CB ASN G 212 −27.832 −56.886 26.487 1.00 155.75 MOL3 CATOM 10292 CG ASN G 212 −26.473 −56.724 25.813 1.00 156.88 MOL3 C ATOM10293 OD1 ASN G 212 −26.382 −56.437 24.615 1.00 158.35 MOL3 O ATOM 10294ND2 ASN G 212 −25.408 −56.898 26.589 1.00 155.49 MOL3 N ATOM 10295 C ASNG 212 −29.864 −57.214 25.031 1.00 161.50 MOL3 C ATOM 10296 O ASN G 212−30.919 −56.922 25.600 1.00 162.29 MOL3 O ATOM 10297 N GLU G 213 −29.621−56.951 23.745 1.00 167.90 MOL3 N ATOM 10298 CA GLU G 213 −30.572−56.302 22.833 1.00 173.47 MOL3 C ATOM 10299 CB GLU G 213 −31.773−57.228 22.588 1.00 173.00 MOL3 C ATOM 10300 CG GLU G 213 −32.233−57.300 21.128 1.00 170.59 MOL3 C ATOM 10301 CD GLU G 213 −31.234−58.015 20.224 1.00 169.54 MOL3 C ATOM 10302 OE1 GLU G 213 −31.531−58.181 19.020 1.00 167.25 MOL3 O ATOM 10303 OE2 GLU G 213 −30.155−58.412 20.714 1.00 169.23 MOL3 O ATOM 10304 C GLU G 213 −31.069 −54.90623.246 1.00 176.92 MOL3 C ATOM 10305 O GLU G 213 −31.944 −54.770 24.1081.00 177.92 MOL3 O ATOM 10306 N CYS G 214 −30.508 −53.875 22.612 1.00179.94 MOL3 N ATOM 10307 CA CYS G 214 −30.882 −52.482 22.879 1.00 182.62MOL3 C ATOM 10308 CB CYS G 214 −30.427 −52.051 24.283 1.00 184.29 MOL3 CATOM 10309 SG CYS G 214 −31.491 −50.813 25.116 1.00 183.85 MOL3 S ATOM10310 C CYS G 214 −30.238 −51.559 21.840 1.00 183.45 MOL3 C ATOM 10311 OCYS G 214 −29.526 −52.080 20.951 1.00 184.03 MOL3 O ATOM 10312 OXT CYS G214 −30.454 −50.329 21.926 1.00 183.24 MOL3 O ATOM 10313 CB GLU H 112.319 −45.817 −24.866 1.00 80.69 MOL3 C ATOM 10314 CG GLU H 1 12.972−44.504 −24.427 1.00 96.38 MOL3 C ATOM 10315 CD GLU H 1 14.460 −44.643−24.132 1.00 103.23 MOL3 C ATOM 10316 OE1 GLU H 1 15.209 −45.116 −25.0191.00 106.26 MOL3 O ATOM 10317 OE2 GLU H 1 14.875 −44.275 −23.007 1.00104.29 MOL3 O ATOM 10318 C GLU H 1 10.202 −47.001 −25.487 1.00 70.52MOL3 C ATOM 10319 O GLU H 1 10.107 −46.972 −26.716 1.00 78.90 MOL3 OATOM 10320 N GLU H 1 10.426 −45.808 −23.286 1.00 67.19 MOL3 N ATOM 10321CA GLU H 1 10.796 −45.818 −24.727 1.00 71.31 MOL3 C ATOM 10322 N VAL H 29.781 −48.028 −24.758 1.00 63.85 MOL3 N ATOM 10323 CA VAL H 2 9.219−49.211 −25.381 1.00 56.70 MOL3 C ATOM 10324 CB VAL H 2 10.013 −50.434−25.007 1.00 49.62 MOL3 C ATOM 10325 CG1 VAL H 2 9.649 −51.582 −25.9281.00 34.77 MOL3 C ATOM 10326 CG2 VAL H 2 11.493 −50.104 −25.018 1.0051.72 MOL3 C ATOM 10327 C VAL H 2 7.806 −49.477 −24.927 1.00 61.99 MOL3C ATOM 10328 O VAL H 2 7.545 −50.540 −24.386 1.00 73.31 MOL3 O ATOM10329 N GLN H 3 6.889 −48.543 −25.158 1.00 61.09 MOL3 N ATOM 10330 CAGLN H 3 5.497 −48.718 −24.730 1.00 57.29 MOL3 C ATOM 10331 CB GLN H 34.665 −47.496 −25.096 1.00 67.65 MOL3 C ATOM 10332 CG GLN H 3 5.258−46.184 −24.650 1.00 91.59 MOL3 C ATOM 10333 CD GLN H 3 5.242 −45.147−25.770 1.00 104.67 MOL3 C ATOM 10334 OE1 GLN H 3 4.181 −44.834 −26.3331.00 109.12 MOL3 O ATOM 10335 NE2 GLN H 3 6.421 −44.612 −26.103 1.00104.81 MOL3 N ATOM 10336 C GLN H 3 4.758 −49.954 −25.240 1.00 47.41 MOL3C ATOM 10337 O GLN H 3 4.892 −50.377 −26.385 1.00 47.05 MOL3 O ATOM10338 N LEU H 4 3.950 −50.502 −24.353 1.00 41.92 MOL3 N ATOM 10339 CALEU H 4 3.135 −51.674 −24.608 1.00 43.25 MOL3 C ATOM 10340 CB LEU H 43.844 −52.888 −24.022 1.00 40.95 MOL3 C ATOM 10341 CG LEU H 4 3.979−54.166 −24.842 1.00 45.87 MOL3 C ATOM 10342 CD1 LEU H 4 4.318 −53.862−26.299 1.00 43.17 MOL3 C ATOM 10343 CD2 LEU H 4 5.065 −55.009 −24.1981.00 42.82 MOL3 C ATOM 10344 C LEU H 4 1.834 −51.381 −23.847 1.00 44.33MOL3 C ATOM 10345 O LEU H 4 1.867 −51.103 −22.635 1.00 45.49 MOL3 O ATOM10346 N VAL H 5 0.700 −51.414 −24.541 1.00 40.36 MOL3 N ATOM 10347 CAVAL H 5 −0.565 −51.117 −23.886 1.00 43.21 MOL3 C ATOM 10348 CB VAL H 5−1.029 −49.715 −24.222 1.00 35.32 MOL3 C ATOM 10349 CG1 VAL H 5 −2.317−49.418 −23.491 1.00 30.52 MOL3 C ATOM 10350 CG2 VAL H 5 0.037 −48.732−23.841 1.00 28.24 MOL3 C ATOM 10351 C VAL H 5 −1.695 −52.065 −24.2351.00 49.10 MOL3 C ATOM 10352 O VAL H 5 −2.084 −52.181 −25.396 1.00 51.42MOL3 O ATOM 10353 N GLU H 6 −2.232 −52.723 −23.212 1.00 53.46 MOL3 NATOM 10354 CA GLU H 6 −3.316 −53.678 −23.381 1.00 55.93 MOL3 C ATOM10355 CB GLU H 6 −3.160 −54.803 −22.358 1.00 53.21 MOL3 C ATOM 10356 CGGLU H 6 −2.063 −54.533 −21.321 1.00 56.79 MOL3 C ATOM 10357 CD GLU H 6−0.982 −55.607 −21.310 1.00 64.46 MOL3 C ATOM 10358 OE1 GLU H 6 −0.073−55.560 −20.452 1.00 62.83 MOL3 O ATOM 10359 OE2 GLU H 6 −1.041 −56.508−22.169 1.00 72.08 MOL3 O ATOM 10360 C GLU H 6 −4.662 −52.995 −23.2111.00 57.62 MOL3 C ATOM 10361 O GLU H 6 −4.752 −51.909 −22.632 1.00 57.43MOL3 O ATOM 10362 N SER H 7 −5.707 −53.633 −23.723 1.00 59.33 MOL3 NATOM 10363 CA SER H 7 −7.051 −53.084 −23.625 1.00 62.56 MOL3 C ATOM10364 CB SER H 7 −7.209 −51.891 −24.564 1.00 66.75 MOL3 C ATOM 10365 OGSER H 7 −6.737 −52.205 −25.866 1.00 77.01 MOL3 O ATOM 10366 C SER H 7−8.072 −54.140 −23.967 1.00 62.44 MOL3 C ATOM 10367 O SER H 7 −7.735−55.183 −24.524 1.00 61.19 MOL3 O ATOM 10368 N GLY H 8 −9.321 −53.865−23.619 1.00 67.04 MOL3 N ATOM 10369 CA GLY H 8 −10.386 −54.809 −23.8951.00 76.02 MOL3 C ATOM 10370 C GLY H 8 −10.749 −55.612 −22.665 1.0081.10 MOL3 C ATOM 10371 O GLY H 8 −11.307 −56.702 −22.754 1.00 79.02MOL3 O ATOM 10372 N GLY H 9 −10.429 −55.070 −21.499 1.00 88.12 MOL3 NATOM 10373 CA GLY H 9 −10.737 −55.776 −20.273 1.00 90.21 MOL3 C ATOM10374 C GLY H 9 −12.179 −55.589 −19.862 1.00 91.24 MOL3 C ATOM 10375 OGLY H 9 −12.856 −54.671 −20.339 1.00 94.44 MOL3 O ATOM 10376 N GLY H 10−12.647 −56.465 −18.976 1.00 91.00 MOL3 N ATOM 10377 CA GLY H 10 −14.016−56.389 −18.485 1.00 88.13 MOL3 C ATOM 10378 C GLY H 10 −14.495 −57.727−17.962 1.00 82.14 MOL3 C ATOM 10379 O GLY H 10 −13.719 −58.681 −17.9061.00 79.67 MOL3 O ATOM 10380 N LEU H 11 −15.759 −57.810 −17.562 1.0077.90 MOL3 N ATOM 10381 CA LEU H 11 −16.270 −59.082 −17.077 1.00 74.98MOL3 C ATOM 10382 CB LEU H 11 −17.031 −58.934 −15.764 1.00 71.57 MOL3 CATOM 10383 CG LEU H 11 −18.320 −58.134 −15.791 1.00 77.35 MOL3 C ATOM10384 CD1 LEU H 11 −18.985 −58.225 −14.436 1.00 82.67 MOL3 C ATOM 10385CD2 LEU H 11 −18.023 −56.693 −16.147 1.00 85.15 MOL3 C ATOM 10386 C LEUH 11 −17.163 −59.671 −18.139 1.00 74.43 MOL3 C ATOM 10387 O LEU H 11−17.611 −58.973 −19.045 1.00 72.67 MOL3 O ATOM 10388 N VAL H 12 −17.405−60.968 −18.043 1.00 77.54 MOL3 N ATOM 10389 CA VAL H 12 −18.235 −61.637−19.026 1.00 84.43 MOL3 C ATOM 10390 CB VAL H 12 −17.499 −61.779 −20.3651.00 86.47 MOL3 C ATOM 10391 CG1 VAL H 12 −16.214 −62.564 −20.172 1.0085.38 MOL3 C ATOM 10392 CG2 VAL H 12 −18.397 −62.472 −21.373 1.00 95.20MOL3 C ATOM 10393 C VAL H 12 −18.656 −63.020 −18.561 1.00 87.93 MOL3 CATOM 10394 O VAL H 12 −17.820 −63.846 −18.206 1.00 92.06 MOL3 O ATOM10395 N GLN H 13 −19.963 −63.264 −18.570 1.00 93.30 MOL3 N ATOM 10396 CAGLN H 13 −20.525 −64.547 −18.144 1.00 93.98 MOL3 C ATOM 10397 CB GLN H13 −22.020 −64.630 −18.507 1.00 101.62 MOL3 C ATOM 10398 CG GLN H 13−22.372 −64.091 −19.903 1.00 114.56 MOL3 C ATOM 10399 CD GLN H 13−22.366 −62.559 −19.985 1.00 122.12 MOL3 C ATOM 10400 OE1 GLN H 13−23.149 −61.885 −19.306 1.00 124.57 MOL3 O ATOM 10401 NE2 GLN H 13−21.484 −62.009 −20.823 1.00 120.27 MOL3 N ATOM 10402 C GLN H 13 −19.771−65.715 −18.767 1.00 86.99 MOL3 C ATOM 10403 O GLN H 13 −19.267 −65.613−19.887 1.00 82.90 MOL3 O ATOM 10404 N PRO H 14 −19.676 −66.839 −18.0401.00 80.78 MOL3 N ATOM 10405 CD PRO H 14 −20.285 −67.128 −16.734 1.0079.55 MOL3 C ATOM 10406 CA PRO H 14 −18.973 −68.015 −18.546 1.00 80.09MOL3 C ATOM 10407 CB PRO H 14 −19.374 −69.102 −17.563 1.00 75.48 MOL3 CATOM 10408 CG PRO H 14 −19.520 −68.359 −16.300 1.00 73.51 MOL3 C ATOM10409 C PRO H 14 −19.422 −68.318 −19.965 1.00 85.55 MOL3 C ATOM 10410 OPRO H 14 −20.480 −67.866 −20.394 1.00 90.37 MOL3 O ATOM 10411 N GLY H 15−18.618 −69.080 −20.695 1.00 89.51 MOL3 N ATOM 10412 CA GLY H 15 −18.963−69.397 −22.068 1.00 91.81 MOL3 C ATOM 10413 C GLY H 15 −18.782 −68.213−23.009 1.00 94.38 MOL3 C ATOM 10414 O GLY H 15 −18.402 −68.390 −24.1681.00 96.38 MOL3 O ATOM 10415 N GLY H 16 −19.052 −67.005 −22.515 1.0095.37 MOL3 N ATOM 10416 CA GLY H 16 −18.916 −65.807 −23.329 1.00 93.58MOL3 C ATOM 10417 C GLY H 16 −17.553 −65.651 −23.983 1.00 91.42 MOL3 CATOM 10418 O GLY H 16 −16.675 −66.494 −23.818 1.00 89.53 MOL3 O ATOM10419 N SER H 17 −17.368 −64.569 −24.729 1.00 90.50 MOL3 N ATOM 10420 CASER H 17 −16.096 −64.345 −25.399 1.00 88.77 MOL3 C ATOM 10421 CB SER H17 −16.183 −64.769 −26.872 1.00 93.79 MOL3 C ATOM 10422 OG SER H 17−16.939 −63.845 −27.646 1.00 101.08 MOL3 O ATOM 10423 C SER H 17 −15.603−62.904 −25.315 1.00 86.43 MOL3 C ATOM 10424 O SER H 17 −16.389 −61.956−25.176 1.00 85.00 MOL3 O ATOM 10425 N LEU H 18 −14.284 −62.761 −25.4081.00 80.10 MOL3 N ATOM 10426 CA LEU H 18 −13.633 −61.465 −25.353 1.0075.09 MOL3 C ATOM 10427 CB LEU H 18 −13.170 −61.178 −23.933 1.00 68.07MOL3 C ATOM 10428 CG LEU H 18 −13.953 −60.096 −23.210 1.00 62.48 MOL3 CATOM 10429 CD1 LEU H 18 −13.285 −59.884 −21.891 1.00 62.03 MOL3 C ATOM10430 CD2 LEU H 18 −13.989 −58.799 −24.016 1.00 59.71 MOL3 C ATOM 10431C LEU H 18 −12.427 −61.428 −26.273 1.00 73.76 MOL3 C ATOM 10432 O LEU H18 −11.813 −62.463 −26.530 1.00 71.85 MOL3 O ATOM 10433 N ARG H 19−12.098 −60.234 −26.762 1.00 71.25 MOL3 N ATOM 10434 CA ARG H 19 −10.945−60.046 −27.633 1.00 70.80 MOL3 C ATOM 10435 CB ARG H 19 −11.393 −59.676−29.046 1.00 76.31 MOL3 C ATOM 10436 CG ARG H 19 −10.262 −59.469 −30.0541.00 81.86 MOL3 C ATOM 10437 CD ARG H 19 −10.782 −59.612 −31.486 1.0087.72 MOL3 C ATOM 10438 NE ARG H 19 −9.862 −59.094 −32.497 1.00 89.33MOL3 N ATOM 10439 CZ ARG H 19 −9.536 −57.810 −32.623 1.00 94.54 MOL3 CATOM 10440 NH1 ARG H 19 −10.051 −56.903 −31.800 1.00 93.84 MOL3 N ATOM10441 NH2 ARG H 19 −8.706 −57.428 −33.584 1.00 97.79 MOL3 N ATOM 10442 CARG H 19 −10.071 −58.947 −27.051 1.00 69.54 MOL3 C ATOM 10443 O ARG H 19−10.500 −57.795 −26.937 1.00 70.47 MOL3 O ATOM 10444 N LEU H 20 −8.847−59.324 −26.682 1.00 63.89 MOL3 N ATOM 10445 CA LEU H 20 −7.877 −58.417−26.090 1.00 56.44 MOL3 C ATOM 10446 CB LEU H 20 −7.129 −59.149 −24.9851.00 53.18 MOL3 C ATOM 10447 CG LEU H 20 −7.988 −59.770 −23.877 1.0053.71 MOL3 C ATOM 10448 CD1 LEU H 20 −7.117 −60.610 −22.954 1.00 49.56MOL3 C ATOM 10449 CD2 LEU H 20 −8.680 −58.672 −23.084 1.00 52.72 MOL3 CATOM 10450 C LEU H 20 −6.891 −57.895 −27.127 1.00 55.93 MOL3 C ATOM10451 O LEU H 20 −6.503 −58.621 −28.043 1.00 55.63 MOL3 O ATOM 10452 NSER H 21 −6.486 −56.638 −26.971 1.00 53.32 MOL3 N ATOM 10453 CA SER H 21−5.549 −56.011 −27.892 1.00 55.06 MOL3 C ATOM 10454 CB SER H 21 −6.246−54.909 −28.674 1.00 58.91 MOL3 C ATOM 10455 OG SER H 21 −7.620 −55.205−28.830 1.00 74.44 MOL3 O ATOM 10456 C SER H 21 −4.388 −55.399 −27.1311.00 55.70 MOL3 C ATOM 10457 O SER H 21 −4.523 −55.019 −25.971 1.0057.26 MOL3 O ATOM 10458 N CYS H 22 −3.248 −55.300 −27.802 1.00 56.67MOL3 N ATOM 10459 CA CYS H 22 −2.046 −54.727 −27.220 1.00 56.43 MOL3 CATOM 10460 C CYS H 22 −1.400 −53.853 −28.269 1.00 50.74 MOL3 C ATOM10461 O CYS H 22 −1.092 −54.322 −29.352 1.00 52.24 MOL3 O ATOM 10462 CBCYS H 22 −1.077 −55.840 −26.817 1.00 63.13 MOL3 C ATOM 10463 SG CYS H 220.529 −55.285 −26.142 1.00 72.78 MOL3 S ATOM 10464 N ALA H 23 −1.210−52.581 −27.961 1.00 48.24 MOL3 N ATOM 10465 CA ALA H 23 −0.590 −51.687−28.912 1.00 51.21 MOL3 C ATOM 10466 CB ALA H 23 −1.292 −50.353 −28.8921.00 57.28 MOL3 C ATOM 10467 C ALA H 23 0.869 −51.532 −28.519 1.00 52.95MOL3 C ATOM 10468 O ALA H 23 1.175 −51.127 −27.402 1.00 56.88 MOL3 OATOM 10469 N ALA H 24 1.771 −51.865 −29.431 1.00 50.57 MOL3 N ATOM 10470CA ALA H 24 3.187 −51.762 −29.132 1.00 51.81 MOL3 C ATOM 10471 CB ALA H24 3.903 −53.016 −29.587 1.00 62.83 MOL3 C ATOM 10472 C ALA H 24 3.811−50.547 −29.783 1.00 49.99 MOL3 C ATOM 10473 O ALA H 24 3.286 −50.016−30.759 1.00 53.01 MOL3 O ATOM 10474 N SER H 25 4.949 −50.123 −29.2491.00 45.42 MOL3 N ATOM 10475 CA SER H 25 5.651 −48.962 −29.775 1.0048.13 MOL3 C ATOM 10476 CB SER H 25 4.977 −47.677 −29.318 1.00 46.68MOL3 C ATOM 10477 OG SER H 25 5.893 −46.919 −28.544 1.00 47.00 MOL3 OATOM 10478 C SER H 25 7.057 −48.935 −29.230 1.00 47.04 MOL3 C ATOM 10479O SER H 25 7.347 −49.595 −28.252 1.00 52.69 MOL3 O ATOM 10480 N GLY H 267.919 −48.140 −29.842 1.00 49.40 MOL3 N ATOM 10481 CA GLY H 26 9.279−48.038 −29.359 1.00 47.23 MOL3 C ATOM 10482 C GLY H 26 10.185 −49.149−29.838 1.00 46.49 MOL3 C ATOM 10483 O GLY H 26 11.295 −49.289 −29.3281.00 46.28 MOL3 O ATOM 10484 N PHE H 27 9.727 −49.944 −30.802 1.00 43.77MOL3 N ATOM 10485 CA PHE H 27 10.566 −51.014 −31.318 1.00 51.46 MOL3 CATOM 10486 CB PHE H 27 10.827 −52.049 −30.222 1.00 48.70 MOL3 C ATOM10487 CG PHE H 27 9.601 −52.772 −29.752 1.00 49.82 MOL3 C ATOM 10488 CD1PHE H 27 9.280 −54.017 −30.247 1.00 48.99 MOL3 C ATOM 10489 CD2 PHE H 278.782 −52.216 −28.793 1.00 57.82 MOL3 C ATOM 10490 CE1 PHE H 27 8.168−54.692 −29.790 1.00 47.68 MOL3 C ATOM 10491 CE2 PHE H 27 7.667 −52.888−28.334 1.00 55.96 MOL3 C ATOM 10492 CZ PHE H 27 7.363 −54.127 −28.8361.00 51.20 MOL3 C ATOM 10493 C PHE H 27 10.027 −51.696 −32.566 1.0056.33 MOL3 C ATOM 10494 O PHE H 27 8.831 −51.653 −32.848 1.00 57.40 MOL3O ATOM 10495 N THR H 28 10.921 −52.318 −33.326 1.00 59.29 MOL3 N ATOM10496 CA THR H 28 10.506 −53.000 −34.536 1.00 59.20 MOL3 C ATOM 10497 CBTHR H 28 11.727 −53.364 −35.386 1.00 62.43 MOL3 C ATOM 10498 OG1 THR H28 12.903 −53.377 −34.559 1.00 75.00 MOL3 O ATOM 10499 CG2 THR H 2811.912 −52.336 −36.478 1.00 62.63 MOL3 C ATOM 10500 C THR H 28 9.666−54.231 −34.202 1.00 53.56 MOL3 C ATOM 10501 O THR H 28 10.155 −55.353−34.154 1.00 51.45 MOL3 O ATOM 10502 N PHE H 29 8.389 −53.973 −33.9541.00 50.42 MOL3 N ATOM 10503 CA PHE H 29 7.392 −54.982 −33.621 1.0052.34 MOL3 C ATOM 10504 CB PHE H 29 6.010 −54.327 −33.673 1.00 49.86MOL3 C ATOM 10505 CG PHE H 29 4.895 −55.191 −33.169 1.00 46.09 MOL3 CATOM 10506 CD1 PHE H 29 4.605 −55.248 −31.817 1.00 41.19 MOL3 C ATOM10507 CD2 PHE H 29 4.123 −55.937 −34.054 1.00 47.78 MOL3 C ATOM 10508CE1 PHE H 29 3.565 −56.032 −31.352 1.00 45.08 MOL3 C ATOM 10509 CE2 PHEH 29 3.079 −56.725 −33.597 1.00 44.39 MOL3 C ATOM 10510 CZ PHE H 292.801 −56.770 −32.241 1.00 47.36 MOL3 C ATOM 10511 C PHE H 29 7.413−56.189 −34.565 1.00 57.28 MOL3 C ATOM 10512 O PHE H 29 7.488 −57.338−34.119 1.00 58.37 MOL3 O ATOM 10513 N SER H 30 7.335 −55.921 −35.8671.00 58.55 MOL3 N ATOM 10514 CA SER H 30 7.323 −56.967 −36.882 1.0058.10 MOL3 C ATOM 10515 CB SER H 30 7.137 −56.339 −38.262 1.00 60.76MOL3 C ATOM 10516 OG SER H 30 6.942 −54.932 −38.165 1.00 73.31 MOL3 OATOM 10517 C SER H 30 8.578 −57.832 −36.872 1.00 60.85 MOL3 C ATOM 10518O SER H 30 8.715 −58.739 −37.697 1.00 59.99 MOL3 O ATOM 10519 N ASP H 319.484 −57.557 −35.932 1.00 64.35 MOL3 N ATOM 10520 CA ASP H 31 10.736−58.305 −35.805 1.00 64.12 MOL3 C ATOM 10521 CB ASP H 31 11.916 −57.376−35.534 1.00 66.03 MOL3 C ATOM 10522 CG ASP H 31 12.343 −56.599 −36.7451.00 76.69 MOL3 C ATOM 10523 OD1 ASP H 31 13.473 −56.066 −36.714 1.0082.61 MOL3 O ATOM 10524 OD2 ASP H 31 11.562 −56.510 −37.719 1.00 83.16MOL3 O ATOM 10525 C ASP H 31 10.754 −59.337 −34.699 1.00 61.93 MOL3 CATOM 10526 O ASP H 31 11.432 −60.345 −34.820 1.00 70.22 MOL3 O ATOM10527 N TYR H 32 10.025 −59.084 −33.620 1.00 58.60 MOL3 N ATOM 10528 CATYR H 32 10.033 −59.983 −32.474 1.00 57.91 MOL3 C ATOM 10529 CB TYR H 3210.303 −59.176 −31.209 1.00 58.87 MOL3 C ATOM 10530 CG TYR H 32 11.612−58.433 −31.201 1.00 56.33 MOL3 C ATOM 10531 CD1 TYR H 32 11.845 −57.382−32.060 1.00 58.83 MOL3 C ATOM 10532 CE1 TYR H 32 13.049 −56.727 −32.0491.00 71.93 MOL3 C ATOM 10533 CD2 TYR H 32 12.616 −58.801 −30.334 1.0059.34 MOL3 C ATOM 10534 CE2 TYR H 32 13.810 −58.163 −30.313 1.00 66.80MOL3 C ATOM 10535 CZ TYR H 32 14.035 −57.130 −31.166 1.00 74.47 MOL3 CATOM 10536 OH TYR H 32 15.270 −56.521 −31.141 1.00 84.60 MOL3 O ATOM10537 C TYR H 32 8.774 −60.790 −32.245 1.00 55.77 MOL3 C ATOM 10538 OTYR H 32 7.702 −60.418 −32.703 1.00 58.85 MOL3 O ATOM 10539 N ASN H 338.906 −61.889 −31.514 1.00 52.56 MOL3 N ATOM 10540 CA ASN H 33 7.741−62.695 −31.206 1.00 56.62 MOL3 C ATOM 10541 CB ASN H 33 8.143 −64.085−30.714 1.00 61.20 MOL3 C ATOM 10542 CG ASN H 33 9.292 −64.670 −31.4921.00 66.30 MOL3 C ATOM 10543 OD1 ASN H 33 9.240 −64.795 −32.724 1.0068.76 MOL3 O ATOM 10544 ND2 ASN H 33 10.346 −65.043 −30.773 1.00 70.28MOL3 N ATOM 10545 C ASN H 33 7.027 −61.952 −30.081 1.00 56.59 MOL3 CATOM 10546 O ASN H 33 7.626 −61.124 −29.403 1.00 59.09 MOL3 O ATOM 10547N MET H 34 5.753 −62.249 −29.881 1.00 53.23 MOL3 N ATOM 10548 CA MET H34 4.987 −61.606 −28.834 1.00 48.63 MOL3 C ATOM 10549 CB MET H 34 3.983−60.650 −29.467 1.00 43.44 MOL3 C ATOM 10550 CG MET H 34 4.614 −59.421−30.057 1.00 40.62 MOL3 C ATOM 10551 SD MET H 34 5.626 −58.584 −28.8181.00 51.97 MOL3 S ATOM 10552 CE MET H 34 4.381 −57.816 −27.805 1.0046.46 MOL3 C ATOM 10553 C MET H 34 4.267 −62.676 −28.020 1.00 51.21 MOL3C ATOM 10554 O MET H 34 4.102 −63.797 −28.488 1.00 53.62 MOL3 O ATOM10555 N ALA H 35 3.841 −62.346 −26.806 1.00 51.15 MOL3 N ATOM 10556 CAALA H 35 3.145 −63.323 −25.982 1.00 47.47 MOL3 C ATOM 10557 CB ALA H 354.152 −64.228 −25.287 1.00 41.63 MOL3 C ATOM 10558 C ALA H 35 2.226−62.704 −24.944 1.00 47.83 MOL3 C ATOM 10559 O ALA H 35 2.284 −61.508−24.654 1.00 49.61 MOL3 O ATOM 10560 N TRP H 36 1.361 −63.545 −24.3951.00 47.61 MOL3 N ATOM 10561 CA TRP H 36 0.443 −63.127 −23.356 1.0045.28 MOL3 C ATOM 10562 CB TRP H 36 −1.001 −63.401 −23.743 1.00 38.09MOL3 C ATOM 10563 CG TRP H 36 −1.506 −62.574 −24.843 1.00 35.79 MOL3 CATOM 10564 CD2 TRP H 36 −2.105 −61.286 −24.731 1.00 39.24 MOL3 C ATOM10565 CE2 TRP H 36 −2.485 −60.884 −26.030 1.00 43.04 MOL3 C ATOM 10566CE3 TRP H 36 −2.361 −60.431 −23.661 1.00 34.67 MOL3 C ATOM 10567 CD1 TRPH 36 −1.537 −62.897 −26.166 1.00 44.70 MOL3 C ATOM 10568 NE1 TRP H 36−2.131 −61.889 −26.892 1.00 43.27 MOL3 N ATOM 10569 CZ2 TRP H 36 −3.104−59.666 −26.283 1.00 33.90 MOL3 C ATOM 10570 CZ3 TRP H 36 −2.975 −59.228−23.917 1.00 38.12 MOL3 C ATOM 10571 CH2 TRP H 36 −3.340 −58.854 −25.2171.00 30.70 MOL3 C ATOM 10572 C TRP H 36 0.780 −63.956 −22.137 1.00 45.18MOL3 C ATOM 10573 O TRP H 36 1.065 −65.147 −22.241 1.00 48.92 MOL3 OATOM 10574 N VAL H 37 0.758 −63.321 −20.983 1.00 39.79 MOL3 N ATOM 10575CA VAL H 37 1.052 −64.005 −19.747 1.00 40.84 MOL3 C ATOM 10576 CB VAL H37 2.428 −63.617 −19.209 1.00 37.48 MOL3 C ATOM 10577 CG1 VAL H 37 2.698−64.337 −17.922 1.00 31.38 MOL3 C ATOM 10578 CG2 VAL H 37 3.479 −63.954−20.221 1.00 31.44 MOL3 C ATOM 10579 C VAL H 37 −0.014 −63.499 −18.8141.00 49.24 MOL3 C ATOM 10580 O VAL H 37 −0.270 −62.293 −18.745 1.0054.99 MOL3 O ATOM 10581 N ARG H 38 −0.643 −64.415 −18.097 1.00 49.75MOL3 N ATOM 10582 CA ARG H 38 −1.713 −64.038 −17.196 1.00 52.55 MOL3 CATOM 10583 CB ARG H 38 −2.929 −64.875 −17.509 1.00 56.84 MOL3 C ATOM10584 CG ARG H 38 −2.602 −66.341 −17.420 1.00 62.25 MOL3 C ATOM 10585 CDARG H 38 −3.791 −67.152 −16.954 1.00 69.06 MOL3 C ATOM 10586 NE ARG H 38−4.874 −67.146 −17.923 1.00 61.89 MOL3 N ATOM 10587 CZ ARG H 38 −5.525−68.241 −18.271 1.00 64.52 MOL3 C ATOM 10588 NH1 ARG H 38 −5.191 −69.404−17.722 1.00 62.42 MOL3 N ATOM 10589 NH2 ARG H 38 −6.493 −68.177 −19.1681.00 67.54 MOL3 N ATOM 10590 C ARG H 38 −1.335 −64.261 −15.750 1.0051.86 MOL3 C ATOM 10591 O ARG H 38 −0.419 −65.013 −15.450 1.00 48.15MOL3 O ATOM 10592 N GLN H 39 −2.070 −63.621 −14.851 1.00 55.25 MOL3 NATOM 10593 CA GLN H 39 −1.810 −63.759 −13.429 1.00 54.03 MOL3 C ATOM10594 CB GLN H 39 −0.761 −62.737 −13.012 1.00 52.59 MOL3 C ATOM 10595 CGGLN H 39 −0.508 −62.653 −11.540 1.00 49.71 MOL3 C ATOM 10596 CD GLN H 390.474 −61.563 −11.214 1.00 49.39 MOL3 C ATOM 10597 OE1 GLN H 39 0.339−60.433 −11.681 1.00 48.74 MOL3 O ATOM 10598 NE2 GLN H 39 1.467 −61.888−10.405 1.00 45.99 MOL3 N ATOM 10599 C GLN H 39 −3.106 −63.582 −12.6371.00 57.67 MOL3 C ATOM 10600 O GLN H 39 −3.627 −62.470 −12.479 1.0061.21 MOL3 O ATOM 10601 N ALA H 40 −3.626 −64.706 −12.156 1.00 55.62MOL3 N ATOM 10602 CA ALA H 40 −4.855 −64.734 −11.385 1.00 55.64 MOL3 CATOM 10603 CB ALA H 40 −5.244 −66.144 −11.145 1.00 53.44 MOL3 C ATOM10604 C ALA H 40 −4.697 −64.011 −10.060 1.00 63.02 MOL3 C ATOM 10605 OALA H 40 −3.658 −64.095 −9.421 1.00 70.41 MOL3 O ATOM 10606 N PRO H 41−5.745 −63.313 −9.612 1.00 67.97 MOL3 N ATOM 10607 CD PRO H 41 −7.127−63.480 −10.088 1.00 68.50 MOL3 C ATOM 10608 CA PRO H 41 −5.713 −62.567−8.349 1.00 71.98 MOL3 C ATOM 10609 CB PRO H 41 −7.189 −62.398 −8.0191.00 74.44 MOL3 C ATOM 10610 CG PRO H 41 −7.839 −62.379 −9.373 1.0070.53 MOL3 C ATOM 10611 C PRO H 41 −4.972 −63.321 −7.252 1.00 74.99 MOL3C ATOM 10612 O PRO H 41 −5.248 −64.488 −6.987 1.00 76.25 MOL3 O ATOM10613 N GLY H 42 −4.021 −62.653 −6.620 1.00 78.76 MOL3 N ATOM 10614 CAGLY H 42 −3.267 −63.297 −5.563 1.00 82.26 MOL3 C ATOM 10615 C GLY H 42−2.257 −64.326 −6.044 1.00 81.56 MOL3 C ATOM 10616 O GLY H 42 −1.160−64.421 −5.488 1.00 85.89 MOL3 O ATOM 10617 N LYS H 43 −2.599 −65.090−7.075 1.00 74.50 MOL3 N ATOM 10618 CA LYS H 43 −1.675 −66.100 −7.5551.00 74.34 MOL3 C ATOM 10619 CB LYS H 43 −2.447 −67.170 −8.314 1.0081.90 MOL3 C ATOM 10620 CG LYS H 43 −3.471 −67.877 −7.436 1.00 93.04MOL3 C ATOM 10621 CD LYS H 43 −3.947 −69.194 −8.050 1.00 104.70 MOL3 CATOM 10622 CE LYS H 43 −2.781 −70.168 −8.263 1.00 110.69 MOL3 C ATOM10623 NZ LYS H 43 −3.221 −71.520 −8.733 1.00 110.14 MOL3 N ATOM 10624 CLYS H 43 −0.457 −65.617 −8.368 1.00 73.13 MOL3 C ATOM 10625 O LYS H 43−0.224 −64.414 −8.533 1.00 71.85 MOL3 O ATOM 10626 N GLY H 44 0.326−66.578 −8.853 1.00 69.00 MOL3 N ATOM 10627 CA GLY H 44 1.528 −66.272−9.606 1.00 62.52 MOL3 C ATOM 10628 C GLY H 44 1.356 −65.945 −11.0751.00 64.11 MOL3 C ATOM 10629 O GLY H 44 0.316 −65.431 −11.504 1.00 68.38MOL3 O ATOM 10630 N LEU H 45 2.383 −66.257 −11.858 1.00 58.47 MOL3 NATOM 10631 CA LEU H 45 2.376 −65.958 −13.285 1.00 54.84 MOL3 C ATOM10632 CB LEU H 45 3.660 −65.206 −13.657 1.00 51.82 MOL3 C ATOM 10633 CGLEU H 45 3.926 −63.899 −12.905 1.00 48.64 MOL3 C ATOM 10634 CD1 LEU H 455.399 −63.508 −12.993 1.00 43.07 MOL3 C ATOM 10635 CD2 LEU H 45 3.016−62.828 −13.473 1.00 42.51 MOL3 C ATOM 10636 C LEU H 45 2.258 −67.213−14.132 1.00 54.17 MOL3 C ATOM 10637 O LEU H 45 2.986 −68.183 −13.9441.00 50.26 MOL3 O ATOM 10638 N GLU H 46 1.339 −67.180 −15.084 1.00 58.43MOL3 N ATOM 10639 CA GLU H 46 1.123 −68.311 −15.965 1.00 60.38 MOL3 CATOM 10640 CB GLU H 46 −0.250 −68.919 −15.686 1.00 71.49 MOL3 C ATOM10641 CG GLU H 46 −0.426 −70.361 −16.110 1.00 83.80 MOL3 C ATOM 10642 CDGLU H 46 −1.757 −70.929 −15.654 1.00 91.71 MOL3 C ATOM 10643 OE1 GLU H46 −2.779 −70.679 −16.336 1.00 91.50 MOL3 O ATOM 10644 OE2 GLU H 46−1.775 −71.611 −14.602 1.00 92.19 MOL3 O ATOM 10645 C GLU H 46 1.200−67.805 −17.395 1.00 60.49 MOL3 C ATOM 10646 O GLU H 46 0.626 −66.760−17.740 1.00 61.39 MOL3 O ATOM 10647 N TRP H 47 1.926 −68.537 −18.2271.00 57.40 MOL3 N ATOM 10648 CA TRP H 47 2.071 −68.147 −19.617 1.0057.25 MOL3 C ATOM 10649 CB TRP H 47 3.319 −68.772 −20.211 1.00 51.55MOL3 C ATOM 10650 CG TRP H 47 3.294 −68.709 −21.680 1.00 58.49 MOL3 CATOM 10651 CD2 TRP H 47 3.195 −69.816 −22.571 1.00 65.35 MOL3 C ATOM10652 CE2 TRP H 47 3.104 −69.298 −23.875 1.00 68.55 MOL3 C ATOM 10653CE3 TRP H 47 3.171 −71.200 −22.394 1.00 68.81 MOL3 C ATOM 10654 CD1 TRPH 47 3.268 −67.586 −22.455 1.00 62.40 MOL3 C ATOM 10655 NE1 TRP H 473.152 −67.930 −23.782 1.00 67.20 MOL3 N ATOM 10656 CZ2 TRP H 47 2.987−70.117 −24.991 1.00 70.75 MOL3 C ATOM 10657 CZ3 TRP H 47 3.057 −72.007−23.503 1.00 70.26 MOL3 C ATOM 10658 CH2 TRP H 47 2.965 −71.466 −24.7831.00 69.71 MOL3 C ATOM 10659 C TRP H 47 0.870 −68.584 −20.432 1.00 56.11MOL3 C ATOM 10660 O TRP H 47 0.484 −69.739 −20.377 1.00 62.69 MOL3 OATOM 10661 N VAL H 48 0.272 −67.673 −21.188 1.00 55.01 MOL3 N ATOM 10662CA VAL H 48 −0.879 −68.039 −22.005 1.00 53.56 MOL3 C ATOM 10663 CB VAL H48 −1.857 −66.856 −22.151 1.00 51.33 MOL3 C ATOM 10664 CG1 VAL H 48−2.811 −67.067 −23.312 1.00 44.69 MOL3 C ATOM 10665 CG2 VAL H 48 −2.653−66.732 −20.880 1.00 56.05 MOL3 C ATOM 10666 C VAL H 48 −0.444 −68.539−23.376 1.00 54.95 MOL3 C ATOM 10667 O VAL H 48 −0.430 −69.739 −23.6251.00 53.09 MOL3 O ATOM 10668 N ALA H 49 −0.068 −67.631 −24.265 1.0058.16 MOL3 N ATOM 10669 CA ALA H 49 0.362 −68.046 −25.590 1.00 62.56MOL3 C ATOM 10670 CB ALA H 49 −0.830 −68.144 −26.509 1.00 61.76 MOL3 CATOM 10671 C ALA H 49 1.374 −67.081 −26.176 1.00 66.37 MOL3 C ATOM 10672O ALA H 49 1.571 −65.980 −25.660 1.00 69.42 MOL3 O ATOM 10673 N THR H 502.025 −67.514 −27.249 1.00 65.01 MOL3 N ATOM 10674 CA THR H 50 2.987−66.675 −27.948 1.00 65.55 MOL3 C ATOM 10675 CB THR H 50 4.472 −66.949−27.505 1.00 66.68 MOL3 C ATOM 10676 OG1 THR H 50 5.249 −67.338 −28.6411.00 71.68 MOL3 O ATOM 10677 CG2 THR H 50 4.559 −68.028 −26.459 1.0056.41 MOL3 C ATOM 10678 C THR H 50 2.843 −66.898 −29.457 1.00 62.54 MOL3C ATOM 10679 O THR H 50 2.513 −67.993 −29.897 1.00 66.24 MOL3 O ATOM10680 N ILE H 51 3.061 −65.848 −30.239 1.00 57.78 MOL3 N ATOM 10681 CAILE H 51 2.970 −65.925 −31.688 1.00 58.59 MOL3 C ATOM 10682 CB ILE H 511.789 −65.127 −32.221 1.00 61.74 MOL3 C ATOM 10683 CG2 ILE H 51 1.719−63.778 −31.532 1.00 65.58 MOL3 C ATOM 10684 CG1 ILE H 51 1.924 −64.965−33.736 1.00 63.13 MOL3 C ATOM 10685 CD1 ILE H 51 0.898 −64.033 −34.3421.00 60.29 MOL3 C ATOM 10686 C ILE H 51 4.247 −65.335 −32.244 1.00 61.40MOL3 C ATOM 10687 O ILE H 51 4.776 −64.383 −31.686 1.00 63.89 MOL3 OATOM 10688 N THR H 52 4.743 −65.884 −33.347 1.00 65.83 MOL3 N ATOM 10689CA THR H 52 6.002 −65.409 −33.917 1.00 69.29 MOL3 C ATOM 10690 CB THR H52 6.639 −66.493 −34.770 1.00 68.24 MOL3 C ATOM 10691 OG1 THR H 52 5.882−66.647 −35.975 1.00 78.52 MOL3 O ATOM 10692 CG2 THR H 52 6.650 −67.819−34.006 1.00 60.36 MOL3 C ATOM 10693 C THR H 52 5.919 −64.120 −34.7251.00 71.78 MOL3 C ATOM 10694 O THR H 52 4.839 −63.665 −35.092 1.00 71.56MOL3 O ATOM 10695 N TYR H 53 7.078 −63.538 −35.004 1.00 76.82 MOL3 NATOM 10696 CA TYR H 53 7.134 −62.279 −35.728 1.00 83.93 MOL3 C ATOM10697 CB TYR H 53 8.586 −61.813 −35.844 1.00 81.83 MOL3 C ATOM 10698 CGTYR H 53 9.427 −62.665 −36.751 1.00 82.92 MOL3 C ATOM 10699 CD1 TYR H 539.616 −62.317 −38.080 1.00 81.60 MOL3 C ATOM 10700 CE1 TYR H 53 10.367−63.106 −38.924 1.00 85.19 MOL3 C ATOM 10701 CD2 TYR H 53 10.013 −63.831−36.287 1.00 86.43 MOL3 C ATOM 10702 CE2 TYR H 53 10.767 −64.630 −37.1261.00 89.89 MOL3 C ATOM 10703 CZ TYR H 53 10.942 −64.263 −38.445 1.0087.12 MOL3 C ATOM 10704 OH TYR H 53 11.703 −65.053 −39.280 1.00 88.25MOL3 O ATOM 10705 C TYR H 53 6.476 −62.296 −37.105 1.00 89.59 MOL3 CATOM 10706 O TYR H 53 5.673 −61.411 −37.414 1.00 90.27 MOL3 O ATOM 10707N GLU H 54 6.807 −63.291 −37.930 1.00 95.40 MOL3 N ATOM 10708 CA GLU H54 6.237 −63.378 −39.276 1.00 97.31 MOL3 C ATOM 10709 CB GLU H 54 6.765−64.602 −40.025 1.00 98.84 MOL3 C ATOM 10710 CG GLU H 54 5.928 −65.850−39.812 1.00 108.31 MOL3 C ATOM 10711 CD GLU H 54 6.561 −66.823 −38.8451.00 112.31 MOL3 C ATOM 10712 OE1 GLU H 54 5.872 −67.781 −38.434 1.00111.19 MOL3 O ATOM 10713 OE2 GLU H 54 7.751 −66.635 −38.506 1.00 114.93MOL3 O ATOM 10714 C GLU H 54 4.722 −63.464 −39.168 1.00 97.26 MOL3 CATOM 10715 O GLU H 54 3.994 −63.033 −40.061 1.00 94.50 MOL3 O ATOM 10716N GLY H 55 4.256 −64.024 −38.059 1.00 96.91 MOL3 N ATOM 10717 CA GLY H55 2.832 −64.135 −37.846 1.00 99.34 MOL3 C ATOM 10718 C GLY H 55 2.269−65.493 −38.188 1.00 102.51 MOL3 C ATOM 10719 O GLY H 55 1.053 −65.678−38.161 1.00 104.24 MOL3 O ATOM 10720 N ARG H 56 3.130 −66.452 −38.5101.00 105.17 MOL3 N ATOM 10721 CA ARG H 56 2.632 −67.782 −38.849 1.00110.29 MOL3 C ATOM 10722 CB ARG H 56 2.876 −68.087 −40.341 1.00 117.75MOL3 C ATOM 10723 CG ARG H 56 1.864 −69.075 −40.980 1.00 124.33 MOL3 CATOM 10724 CD ARG H 56 0.399 −68.588 −40.858 1.00 128.22 MOL3 C ATOM10725 NE ARG H 56 −0.565 −69.460 −41.539 1.00 127.99 MOL3 N ATOM 10726CZ ARG H 56 −1.888 −69.376 −41.404 1.00 127.35 MOL3 C ATOM 10727 NH1 ARGH 56 −2.421 −68.456 −40.608 1.00 124.80 MOL3 N ATOM 10728 NH2 ARG H 56−2.682 −70.212 −42.067 1.00 122.83 MOL3 N ATOM 10729 C ARG H 56 3.244−68.873 −37.971 1.00 107.22 MOL3 C ATOM 10730 O ARG H 56 4.154 −69.588−38.386 1.00 107.49 MOL3 O ATOM 10731 N ASN H 57 2.722 −68.984 −36.7531.00 104.15 MOL3 N ATOM 10732 CA ASN H 57 3.172 −69.969 −35.776 1.00101.40 MOL3 C ATOM 10733 CB ASN H 57 4.701 −70.090 −35.799 1.00 104.71MOL3 C ATOM 10734 CG ASN H 57 5.173 −71.513 −36.054 1.00 106.01 MOL3 CATOM 10735 OD1 ASN H 57 4.768 −72.146 −37.029 1.00 104.49 MOL3 O ATOM10736 ND2 ASN H 57 6.038 −72.020 −35.178 1.00 104.68 MOL3 N ATOM 10737 CASN H 57 2.714 −69.536 −34.386 1.00 95.59 MOL3 C ATOM 10738 O ASN H 573.310 −68.656 −33.777 1.00 92.89 MOL3 O ATOM 10739 N THR H 58 1.649−70.156 −33.898 1.00 89.66 MOL3 N ATOM 10740 CA THR H 58 1.117 −69.833−32.590 1.00 87.41 MOL3 C ATOM 10741 CB THR H 58 −0.370 −69.535 −32.6901.00 88.89 MOL3 C ATOM 10742 OG1 THR H 58 −1.049 −70.677 −33.219 1.0093.56 MOL3 O ATOM 10743 CG2 THR H 58 −0.603 −68.357 −33.616 1.00 89.97MOL3 C ATOM 10744 C THR H 58 1.364 −71.033 −31.697 1.00 86.81 MOL3 CATOM 10745 O THR H 58 1.544 −72.135 −32.205 1.00 87.41 MOL3 O ATOM 10746N TYR H 59 1.375 −70.837 −30.377 1.00 87.09 MOL3 N ATOM 10747 CA TYR H59 1.656 −71.949 −29.477 1.00 87.89 MOL3 C ATOM 10748 CB TYR H 59 3.011−71.724 −28.815 1.00 86.52 MOL3 C ATOM 10749 CG TYR H 59 4.159 −71.914−29.785 1.00 92.68 MOL3 C ATOM 10750 CD1 TYR H 59 4.409 −70.987 −30.7891.00 93.63 MOL3 C ATOM 10751 CE1 TYR H 59 5.423 −71.186 −31.715 1.0097.03 MOL3 C ATOM 10752 CD2 TYR H 59 4.962 −73.050 −29.730 1.00 95.37MOL3 C ATOM 10753 CE2 TYR H 59 5.980 −73.258 −30.651 1.00 96.17 MOL3 CATOM 10754 CZ TYR H 59 6.205 −72.324 −31.643 1.00 98.10 MOL3 C ATOM10755 OH TYR H 59 7.201 −72.536 −32.575 1.00 100.34 MOL3 O ATOM 10756 CTYR H 59 0.620 −72.348 −28.434 1.00 88.98 MOL3 C ATOM 10757 O TYR H 590.255 −73.522 −28.352 1.00 97.11 MOL3 O ATOM 10758 N TYR H 60 0.159−71.411 −27.619 1.00 84.78 MOL3 N ATOM 10759 CA TYR H 60 −0.870 −71.736−26.621 1.00 83.82 MOL3 C ATOM 10760 CB TYR H 60 −2.136 −72.260 −27.3271.00 72.84 MOL3 C ATOM 10761 CG TYR H 60 −2.630 −71.361 −28.436 1.0065.27 MOL3 C ATOM 10762 CD1 TYR H 60 −2.171 −71.509 −29.735 1.00 61.04MOL3 C ATOM 10763 CE1 TYR H 60 −2.547 −70.630 −30.726 1.00 61.15 MOL3 CATOM 10764 CD2 TYR H 60 −3.490 −70.307 −28.164 1.00 64.94 MOL3 C ATOM10765 CE2 TYR H 60 −3.870 −69.418 −29.149 1.00 63.80 MOL3 C ATOM 10766CZ TYR H 60 −3.392 −69.582 −30.427 1.00 65.02 MOL3 C ATOM 10767 OH TYR H60 −3.741 −68.673 −31.397 1.00 65.42 MOL3 O ATOM 10768 C TYR H 60 −0.499−72.730 −25.513 1.00 83.92 MOL3 C ATOM 10769 O TYR H 60 0.293 −73.649−25.708 1.00 83.62 MOL3 O ATOM 10770 N ARG H 61 −1.107 −72.546 −24.3481.00 87.10 MOL3 N ATOM 10771 CA ARG H 61 −0.863 −73.432 −23.227 1.0090.67 MOL3 C ATOM 10772 CB ARG H 61 −0.879 −72.648 −21.910 1.00 89.04MOL3 C ATOM 10773 CG ARG H 61 −1.978 −73.017 −20.925 1.00 88.73 MOL3 CATOM 10774 CD ARG H 61 −1.397 −73.411 −19.565 1.00 91.73 MOL3 C ATOM10775 NE ARG H 61 −0.283 −72.553 −19.170 1.00 93.52 MOL3 N ATOM 10776 CZARG H 61 0.477 −72.744 −18.093 1.00 96.29 MOL3 C ATOM 10777 NH1 ARG H 610.252 −73.767 −17.278 1.00 97.97 MOL3 N ATOM 10778 NH2 ARG H 61 1.486−71.918 −17.844 1.00 100.59 MOL3 N ATOM 10779 C ARG H 61 −1.919 −74.527−23.227 1.00 97.16 MOL3 C ATOM 10780 O ARG H 61 −3.079 −74.294 −23.5821.00 102.79 MOL3 O ATOM 10781 N ASP H 62 −1.502 −75.736 −22.867 1.00100.75 MOL3 N ATOM 10782 CA ASP H 62 −2.410 −76.881 −22.803 1.00 103.41MOL3 C ATOM 10783 CB ASP H 62 −1.659 −78.133 −22.330 1.00 108.69 MOL3 CATOM 10784 CG ASP H 62 −1.031 −78.913 −23.464 1.00 115.91 MOL3 C ATOM10785 OD1 ASP H 62 −0.409 −79.959 −23.175 1.00 117.07 MOL3 O ATOM 10786OD2 ASP H 62 −1.162 −78.488 −24.634 1.00 120.19 MOL3 O ATOM 10787 C ASPH 62 −3.499 −76.590 −21.783 1.00 100.29 MOL3 C ATOM 10788 O ASP H 62−3.495 −77.191 −20.711 1.00 102.03 MOL3 O ATOM 10789 N SER H 63 −4.423−75.687 −22.095 1.00 93.82 MOL3 N ATOM 10790 CA SER H 63 −5.476 −75.357−21.147 1.00 90.28 MOL3 C ATOM 10791 CB SER H 63 −4.859 −74.879 −19.8351.00 87.21 MOL3 C ATOM 10792 OG SER H 63 −5.861 −74.488 −18.921 1.0092.41 MOL3 O ATOM 10793 C SER H 63 −6.394 −74.284 −21.701 1.00 91.17MOL3 C ATOM 10794 O SER H 63 −7.370 −73.886 −21.059 1.00 91.75 MOL3 OATOM 10795 N VAL H 64 −6.069 −73.811 −22.896 1.00 91.49 MOL3 N ATOM10796 CA VAL H 64 −6.865 −72.787 −23.553 1.00 94.39 MOL3 C ATOM 10797 CBVAL H 64 −6.385 −71.370 −23.201 1.00 93.70 MOL3 C ATOM 10798 CG1 VAL H64 −6.499 −71.140 −21.711 1.00 96.30 MOL3 C ATOM 10799 CG2 VAL H 64−4.954 −71.175 −23.674 1.00 94.32 MOL3 C ATOM 10800 C VAL H 64 −6.748−72.961 −25.053 1.00 96.79 MOL3 C ATOM 10801 O VAL H 64 −7.037 −72.035−25.816 1.00 96.76 MOL3 O ATOM 10802 N LYS H 65 −6.308 −74.145 −25.4731.00 95.31 MOL3 N ATOM 10803 CA LYS H 65 −6.168 −74.411 −26.892 1.0094.68 MOL3 C ATOM 10804 CB LYS H 65 −5.389 −75.703 −27.120 1.00 97.79MOL3 C ATOM 10805 CG LYS H 65 −3.917 −75.620 −26.727 1.00 105.41 MOL3 CATOM 10806 CD LYS H 65 −3.130 −76.823 −27.248 1.00 111.88 MOL3 C ATOM10807 CE LYS H 65 −3.241 −76.949 −28.776 1.00 117.99 MOL3 C ATOM 10808NZ LYS H 65 −2.605 −78.188 −29.340 1.00 117.99 MOL3 N ATOM 10809 C LYS H65 −7.548 −74.499 −27.519 1.00 93.17 MOL3 C ATOM 10810 O LYS H 65 −8.502−74.954 −26.891 1.00 90.62 MOL3 O ATOM 10811 N GLY H 66 −7.654 −74.041−28.758 1.00 94.38 MOL3 N ATOM 10812 CA GLY H 66 −8.934 −74.064 −29.4411.00 97.52 MOL3 C ATOM 10813 C GLY H 66 −9.857 −72.956 −28.961 1.0098.00 MOL3 C ATOM 10814 O GLY H 66 −10.562 −72.320 −29.757 1.00 100.20MOL3 O ATOM 10815 N ARG H 67 −9.843 −72.716 −27.652 1.00 91.62 MOL3 NATOM 10816 CA ARG H 67 −10.680 −71.694 −27.043 1.00 83.37 MOL3 C ATOM10817 CB ARG H 67 −10.836 −72.011 −25.561 1.00 73.95 MOL3 C ATOM 10818CG ARG H 67 −10.741 −73.499 −25.317 1.00 73.72 MOL3 C ATOM 10819 CD ARGH 67 −11.347 −73.936 −24.004 1.00 80.67 MOL3 C ATOM 10820 NE ARG H 67−10.576 −73.505 −22.843 1.00 82.41 MOL3 N ATOM 10821 CZ ARG H 67 −10.706−72.323 −22.254 1.00 76.67 MOL3 C ATOM 10822 NH1 ARG H 67 −9.953 −72.026−21.200 1.00 69.65 MOL3 N ATOM 10823 NH2 ARG H 67 −11.596 −71.449−22.715 1.00 72.65 MOL3 N ATOM 10824 C ARG H 67 −10.089 −70.305 −27.2471.00 83.65 MOL3 C ATOM 10825 O ARG H 67 −10.817 −69.342 −27.477 1.0086.32 MOL3 O ATOM 10826 N PHE H 68 −8.764 −70.212 −27.171 1.00 81.89MOL3 N ATOM 10827 CA PHE H 68 −8.058 −68.948 −27.352 1.00 81.08 MOL3 CATOM 10828 CB PHE H 68 −6.939 −68.819 −26.321 1.00 72.92 MOL3 C ATOM10829 CG PHE H 68 −7.395 −68.365 −24.971 1.00 71.33 MOL3 C ATOM 10830CD1 PHE H 68 −8.714 −68.485 −24.589 1.00 73.75 MOL3 C ATOM 10831 CD2 PHEH 68 −6.487 −67.856 −24.061 1.00 72.40 MOL3 C ATOM 10832 CE1 PHE H 68−9.123 −68.109 −23.320 1.00 69.11 MOL3 C ATOM 10833 CE2 PHE H 68 −6.887−67.480 −22.795 1.00 70.70 MOL3 C ATOM 10834 CZ PHE H 68 −8.210 −67.609−22.425 1.00 69.29 MOL3 C ATOM 10835 C PHE H 68 −7.436 −68.881 −28.7431.00 84.69 MOL3 C ATOM 10836 O PHE H 68 −7.245 −69.911 −29.399 1.0084.19 MOL3 O ATOM 10837 N THR H 69 −7.117 −67.665 −29.184 1.00 85.37MOL3 N ATOM 10838 CA THR H 69 −6.479 −67.449 −30.480 1.00 81.81 MOL3 CATOM 10839 CB THR H 69 −7.502 −67.428 −31.627 1.00 85.13 MOL3 C ATOM10840 OG1 THR H 69 −7.912 −68.771 −31.927 1.00 89.96 MOL3 O ATOM 10841CG2 THR H 69 −6.892 −66.806 −32.868 1.00 86.41 MOL3 C ATOM 10842 C THR H69 −5.675 −66.154 −30.484 1.00 78.76 MOL3 C ATOM 10843 O THR H 69 −6.221−65.056 −30.378 1.00 81.27 MOL3 O ATOM 10844 N ILE H 70 −4.364 −66.309−30.612 1.00 72.91 MOL3 N ATOM 10845 CA ILE H 70 −3.426 −65.196 −30.6021.00 70.91 MOL3 C ATOM 10846 CB ILE H 70 −2.139 −65.656 −29.849 1.0065.12 MOL3 C ATOM 10847 CG2 ILE H 70 −1.458 −66.745 −30.625 1.00 66.98MOL3 C ATOM 10848 CG1 ILE H 70 −1.180 −64.495 −29.604 1.00 60.99 MOL3 CATOM 10849 CD1 ILE H 70 0.021 −64.911 −28.791 1.00 42.86 MOL3 C ATOM10850 C ILE H 70 −3.125 −64.740 −32.035 1.00 71.17 MOL3 C ATOM 10851 OILE H 70 −2.949 −65.561 −32.926 1.00 72.08 MOL3 O ATOM 10852 N SER H 71−3.070 −63.431 −32.260 1.00 74.25 MOL3 N ATOM 10853 CA SER H 71 −2.810−62.913 −33.600 1.00 77.76 MOL3 C ATOM 10854 CB SER H 71 −4.120 −62.832−34.368 1.00 84.72 MOL3 C ATOM 10855 OG SER H 71 −5.076 −62.078 −33.6341.00 92.41 MOL3 O ATOM 10856 C SER H 71 −2.167 −61.537 −33.575 1.0078.41 MOL3 C ATOM 10857 O SER H 71 −2.275 −60.818 −32.583 1.00 80.38MOL3 O ATOM 10858 N ARG H 72 −1.517 −61.162 −34.673 1.00 76.70 MOL3 NATOM 10859 CA ARG H 72 −0.866 −59.857 −34.754 1.00 77.38 MOL3 C ATOM10860 CB ARG H 72 0.632 −60.005 −34.480 1.00 75.59 MOL3 C ATOM 10861 CGARG H 72 1.340 −60.977 −35.391 1.00 72.05 MOL3 C ATOM 10862 CD ARG H 722.717 −61.268 −34.866 1.00 71.05 MOL3 C ATOM 10863 NE ARG H 72 3.498−60.050 −34.695 1.00 74.56 MOL3 N ATOM 10864 CZ ARG H 72 4.619 −59.986−33.984 1.00 78.18 MOL3 C ATOM 10865 NH1 ARG H 72 5.084 −61.071 −33.3781.00 76.57 MOL3 N ATOM 10866 NH2 ARG H 72 5.280 −58.841 −33.881 1.0079.10 MOL3 N ATOM 10867 C ARG H 72 −1.073 −59.198 −36.108 1.00 78.26MOL3 C ATOM 10868 O ARG H 72 −1.565 −59.838 −37.040 1.00 80.43 MOL3 OATOM 10869 N ASP H 73 −0.701 −57.922 −36.215 1.00 79.15 MOL3 N ATOM10870 CA ASP H 73 −0.842 −57.204 −37.478 1.00 83.39 MOL3 C ATOM 10871 CBASP H 73 −1.724 −55.968 −37.318 1.00 87.45 MOL3 C ATOM 10872 CG ASP H 73−2.487 −55.623 −38.597 1.00 95.41 MOL3 C ATOM 10873 OD1 ASP H 73 −1.859−55.575 −39.682 1.00 100.81 MOL3 O ATOM 10874 OD2 ASP H 73 −3.718−55.399 −38.520 1.00 97.72 MOL3 O ATOM 10875 C ASP H 73 0.498 −56.785−38.083 1.00 84.03 MOL3 C ATOM 10876 O ASP H 73 0.688 −56.864 −39.2951.00 89.76 MOL3 O ATOM 10877 N ASN H 74 1.425 −56.354 −37.240 1.00 83.32MOL3 N ATOM 10878 CA ASN H 74 2.731 −55.913 −37.701 1.00 83.34 MOL3 CATOM 10879 CB ASN H 74 3.367 −56.961 −38.605 1.00 84.66 MOL3 C ATOM10880 CG ASN H 74 3.817 −58.182 −37.827 1.00 89.27 MOL3 C ATOM 10881 OD1ASN H 74 4.520 −59.046 −38.351 1.00 93.50 MOL3 O ATOM 10882 ND2 ASN H 743.411 −58.257 −36.562 1.00 85.97 MOL3 N ATOM 10883 C ASN H 74 2.581−54.581 −38.400 1.00 83.52 MOL3 C ATOM 10884 O ASN H 74 3.550 −53.856−38.603 1.00 89.31 MOL3 O ATOM 10885 N ALA H 75 1.348 −54.272 −38.7761.00 84.62 MOL3 N ATOM 10886 CA ALA H 75 1.014 −52.986 −39.371 1.0085.59 MOL3 C ATOM 10887 CB ALA H 75 0.045 −53.148 −40.524 1.00 81.20MOL3 C ATOM 10888 C ALA H 75 0.299 −52.415 −38.165 1.00 89.52 MOL3 CATOM 10889 O ALA H 75 −0.260 −53.180 −37.374 1.00 92.00 MOL3 O ATOM10890 N LYS H 76 0.328 −51.101 −37.989 1.00 91.06 MOL3 N ATOM 10891 CALYS H 76 −0.327 −50.490 −36.828 1.00 93.31 MOL3 C ATOM 10892 CB LYS H 76−1.851 −50.634 −36.941 1.00 90.27 MOL3 C ATOM 10893 CG LYS H 76 −2.399−51.881 −36.289 1.00 82.81 MOL3 C ATOM 10894 CD LYS H 76 −3.886 −52.035−36.517 1.00 82.37 MOL3 C ATOM 10895 CE LYS H 76 −4.199 −52.498 −37.9221.00 76.83 MOL3 C ATOM 10896 NZ LYS H 76 −5.476 −53.263 −37.927 1.0076.47 MOL3 N ATOM 10897 C LYS H 76 0.158 −51.097 −35.490 1.00 92.31 MOL3C ATOM 10898 O LYS H 76 −0.420 −50.837 −34.432 1.00 94.15 MOL3 O ATOM10899 N ASN H 77 1.212 −51.912 −35.550 1.00 87.30 MOL3 N ATOM 10900 CAASN H 77 1.806 −52.529 −34.363 1.00 78.14 MOL3 C ATOM 10901 CB ASN H 772.726 −51.536 −33.656 1.00 83.99 MOL3 C ATOM 10902 CG ASN H 77 3.860−51.068 −34.518 1.00 82.72 MOL3 C ATOM 10903 OD1 ASN H 77 4.629 −50.196−34.108 1.00 80.57 MOL3 O ATOM 10904 ND2 ASN H 77 3.986 −51.642 −35.7141.00 84.30 MOL3 N ATOM 10905 C ASN H 77 0.819 −53.012 −33.314 1.00 70.11MOL3 C ATOM 10906 O ASN H 77 0.691 −52.382 −32.267 1.00 66.82 MOL3 OATOM 10907 N SER H 78 0.143 −54.124 −33.550 1.00 60.84 MOL3 N ATOM 10908CA SER H 78 −0.807 −54.606 −32.554 1.00 57.37 MOL3 C ATOM 10909 CB SER H78 −2.229 −54.175 −32.905 1.00 56.83 MOL3 C ATOM 10910 OG SER H 78−2.395 −52.781 −32.769 1.00 66.79 MOL3 O ATOM 10911 C SER H 78 −0.829−56.101 −32.328 1.00 53.26 MOL3 C ATOM 10912 O SER H 78 −0.669 −56.886−33.244 1.00 52.52 MOL3 O ATOM 10913 N LEU H 79 −1.060 −56.483 −31.0831.00 56.04 MOL3 N ATOM 10914 CA LEU H 79 −1.139 −57.886 −30.703 1.0058.73 MOL3 C ATOM 10915 CB LEU H 79 −0.110 −58.233 −29.627 1.00 63.94MOL3 C ATOM 10916 CG LEU H 79 −0.303 −59.632 −29.027 1.00 67.03 MOL3 CATOM 10917 CD1 LEU H 79 −0.069 −60.710 −30.095 1.00 61.98 MOL3 C ATOM10918 CD2 LEU H 79 0.653 −59.813 −27.860 1.00 69.74 MOL3 C ATOM 10919 CLEU H 79 −2.525 −58.127 −30.140 1.00 59.16 MOL3 C ATOM 10920 O LEU H 79−3.005 −57.355 −29.310 1.00 60.85 MOL3 O ATOM 10921 N TYR H 80 −3.160−59.207 −30.581 1.00 59.60 MOL3 N ATOM 10922 CA TYR H 80 −4.511 −59.533−30.129 1.00 58.99 MOL3 C ATOM 10923 CB TYR H 80 −5.503 −59.465 −31.2931.00 55.82 MOL3 C ATOM 10924 CG TYR H 80 −5.399 −58.235 −32.150 1.0059.36 MOL3 C ATOM 10925 CD1 TYR H 80 −5.652 −56.974 −31.629 1.00 64.60MOL3 C ATOM 10926 CE1 TYR H 80 −5.537 −55.843 −32.416 1.00 65.64 MOL3 CATOM 10927 CD2 TYR H 80 −5.030 −58.329 −33.481 1.00 61.01 MOL3 C ATOM10928 CE2 TYR H 80 −4.910 −57.204 −34.271 1.00 59.14 MOL3 C ATOM 10929CZ TYR H 80 −5.165 −55.971 −33.735 1.00 60.95 MOL3 C ATOM 10930 OH TYR H80 −5.060 −54.859 −34.522 1.00 67.08 MOL3 O ATOM 10931 C TYR H 80 −4.644−60.919 −29.513 1.00 60.27 MOL3 C ATOM 10932 O TYR H 80 −3.871 −61.833−29.806 1.00 60.76 MOL3 O ATOM 10933 N LEU H 81 −5.644 −61.063 −28.6551.00 58.53 MOL3 N ATOM 10934 CA LEU H 81 −5.931 −62.346 −28.044 1.0059.99 MOL3 C ATOM 10935 CB LEU H 81 −5.462 −62.403 −26.595 1.00 50.64MOL3 C ATOM 10936 CG LEU H 81 −5.792 −63.749 −25.952 1.00 44.10 MOL3 CATOM 10937 CD1 LEU H 81 −4.999 −64.816 −26.630 1.00 40.53 MOL3 C ATOM10938 CD2 LEU H 81 −5.475 −63.740 −24.477 1.00 47.90 MOL3 C ATOM 10939 CLEU H 81 −7.438 −62.530 −28.110 1.00 65.84 MOL3 C ATOM 10940 O LEU H 81−8.195 −61.711 −27.584 1.00 68.73 MOL3 O ATOM 10941 N GLN H 82 −7.866−63.592 −28.785 1.00 71.66 MOL3 N ATOM 10942 CA GLN H 82 −9.286 −63.898−28.925 1.00 76.01 MOL3 C ATOM 10943 CB GLN H 82 −9.612 −64.394 −30.3261.00 77.87 MOL3 C ATOM 10944 CG GLN H 82 −11.094 −64.592 −30.554 1.0079.24 MOL3 C ATOM 10945 CD GLN H 82 −11.871 −63.287 −30.477 1.00 82.83MOL3 C ATOM 10946 OE1 GLN H 82 −11.562 −62.321 −31.183 1.00 79.11 MOL3 OATOM 10947 NE2 GLN H 82 −12.891 −63.255 −29.623 1.00 82.97 MOL3 N ATOM10948 C GLN H 82 −9.655 −64.982 −27.940 1.00 78.00 MOL3 C ATOM 10949 OGLN H 82 −9.270 −66.141 −28.104 1.00 75.52 MOL3 O ATOM 10950 N MET H 83−10.409 −64.603 −26.919 1.00 81.38 MOL3 N ATOM 10951 CA MET H 83 −10.813−65.556 −25.904 1.00 83.45 MOL3 C ATOM 10952 CB MET H 83 −10.563 −64.971−24.517 1.00 83.00 MOL3 C ATOM 10953 CG MET H 83 −9.147 −64.454 −24.3141.00 73.51 MOL3 C ATOM 10954 SD MET H 83 −8.778 −64.189 −22.577 1.0072.08 MOL3 S ATOM 10955 CE MET H 83 −9.688 −62.657 −22.254 1.00 75.89MOL3 C ATOM 10956 C MET H 83 −12.271 −65.983 −26.062 1.00 86.73 MOL3 CATOM 10957 O MET H 83 −13.200 −65.215 −25.790 1.00 89.34 MOL3 O ATOM10958 N ASN H 84 −12.450 −67.219 −26.522 1.00 87.09 MOL3 N ATOM 10959 CAASN H 84 −13.773 −67.799 −26.738 1.00 88.83 MOL3 C ATOM 10960 CB ASN H84 −13.856 −68.522 −28.095 1.00 87.32 MOL3 C ATOM 10961 CG ASN H 84−13.628 −67.600 −29.289 1.00 90.12 MOL3 C ATOM 10962 OD1 ASN H 84−14.228 −66.531 −29.390 1.00 90.38 MOL3 O ATOM 10963 ND2 ASN H 84−12.770 −68.030 −30.215 1.00 89.58 MOL3 N ATOM 10964 C ASN H 84 −14.050−68.823 −25.645 1.00 90.92 MOL3 C ATOM 10965 O ASN H 84 −13.127 −69.347−25.022 1.00 91.60 MOL3 O ATOM 10966 N SER H 85 −15.325 −69.116 −25.4221.00 92.60 MOL3 N ATOM 10967 CA SER H 85 −15.709 −70.103 −24.419 1.0092.77 MOL3 C ATOM 10968 CB SER H 85 −15.327 −71.503 −24.898 1.00 93.17MOL3 C ATOM 10969 OG SER H 85 −15.907 −71.784 −26.162 1.00 95.37 MOL3 OATOM 10970 C SER H 85 −15.022 −69.832 −23.094 1.00 91.07 MOL3 C ATOM10971 O SER H 85 −14.607 −70.755 −22.399 1.00 92.03 MOL3 O ATOM 10972 NLEU H 86 −14.907 −68.562 −22.745 1.00 89.75 MOL3 N ATOM 10973 CA LEU H86 −14.245 −68.194 −21.512 1.00 89.08 MOL3 C ATOM 10974 CB LEU H 86−14.381 −66.691 −21.274 1.00 85.61 MOL3 C ATOM 10975 CG LEU H 86 −13.384−65.865 −22.086 1.00 78.91 MOL3 C ATOM 10976 CD1 LEU H 86 −13.579−64.384 −21.829 1.00 79.31 MOL3 C ATOM 10977 CD2 LEU H 86 −11.980−66.292 −21.703 1.00 74.10 MOL3 C ATOM 10978 C LEU H 86 −14.725 −68.960−20.295 1.00 89.90 MOL3 C ATOM 10979 O LEU H 86 −15.843 −68.768 −19.8341.00 93.13 MOL3 O ATOM 10980 N ARG H 87 −13.880 −69.847 −19.783 1.0092.08 MOL3 N ATOM 10981 CA ARG H 87 −14.232 −70.594 −18.584 1.00 96.78MOL3 C ATOM 10982 CB ARG H 87 −13.291 −71.787 −18.383 1.00 102.37 MOL3 CATOM 10983 CG ARG H 87 −13.471 −72.934 −19.379 1.00 112.26 MOL3 C ATOM10984 CD ARG H 87 −12.508 −74.078 −19.059 1.00 120.23 MOL3 C ATOM 10985NE ARG H 87 −12.595 −75.188 −20.006 1.00 131.15 MOL3 N ATOM 10986 CZ ARGH 87 −11.737 −76.205 −20.039 1.00 136.65 MOL3 C ATOM 10987 NH1 ARG H 87−10.728 −76.251 −19.178 1.00 139.89 MOL3 N ATOM 10988 NH2 ARG H 87−11.882 −77.173 −20.934 1.00 139.76 MOL3 N ATOM 10989 C ARG H 87 −14.098−69.607 −17.419 1.00 96.43 MOL3 C ATOM 10990 O ARG H 87 −13.832 −68.430−17.635 1.00 96.71 MOL3 O ATOM 10991 N ALA H 88 −14.280 −70.071 −16.1901.00 96.62 MOL3 N ATOM 10992 CA ALA H 88 −14.184 −69.183 −15.038 1.0095.02 MOL3 C ATOM 10993 CB ALA H 88 −15.168 −69.617 −13.963 1.00 100.74MOL3 C ATOM 10994 C ALA H 88 −12.777 −69.156 −14.472 1.00 92.76 MOL3 CATOM 10995 O ALA H 88 −12.364 −68.189 −13.845 1.00 90.60 MOL3 O ATOM10996 N GLU H 89 −12.045 −70.234 −14.693 1.00 92.27 MOL3 N ATOM 10997 CAGLU H 89 −10.687 −70.326 −14.202 1.00 93.53 MOL3 C ATOM 10998 CB GLU H89 −10.242 −71.793 −14.182 1.00 101.54 MOL3 C ATOM 10999 CG GLU H 89−10.041 −72.426 −15.559 1.00 113.37 MOL3 C ATOM 11000 CD GLU H 89−10.782 −73.752 −15.724 1.00 120.39 MOL3 C ATOM 11001 OE1 GLU H 89−10.482 −74.489 −16.694 1.00 121.99 MOL3 O ATOM 11002 OE2 GLU H 89−11.670 −74.050 −14.890 1.00 122.54 MOL3 O ATOM 11003 C GLU H 89 −9.758−69.493 −15.083 1.00 89.20 MOL3 C ATOM 11004 O GLU H 89 −8.536 −69.547−14.944 1.00 89.55 MOL3 O ATOM 11005 N ASP H 90 −10.335 −68.715 −15.9901.00 82.95 MOL3 N ATOM 11006 CA ASP H 90 −9.517 −67.888 −16.867 1.0080.12 MOL3 C ATOM 11007 CB ASP H 90 −10.044 −67.903 −18.306 1.00 80.37MOL3 C ATOM 11008 CG ASP H 90 −9.933 −69.272 −18.969 1.00 82.38 MOL3 CATOM 11009 OD1 ASP H 90 −8.988 −70.036 −18.662 1.00 79.57 MOL3 O ATOM11010 OD2 ASP H 90 −10.794 −69.575 −19.823 1.00 83.84 MOL3 O ATOM 11011C ASP H 90 −9.427 −66.451 −16.384 1.00 78.47 MOL3 C ATOM 11012 O ASP H90 −8.768 −65.624 −17.011 1.00 78.94 MOL3 O ATOM 11013 N THR H 91−10.088 −66.159 −15.268 1.00 76.99 MOL3 N ATOM 11014 CA THR H 91 −10.083−64.820 −14.685 1.00 72.56 MOL3 C ATOM 11015 CB THR H 91 −10.919 −64.779−13.414 1.00 68.77 MOL3 C ATOM 11016 OG1 THR H 91 −12.197 −65.366−13.658 1.00 66.56 MOL3 O ATOM 11017 CG2 THR H 91 −11.113 −63.356−12.973 1.00 78.03 MOL3 C ATOM 11018 C THR H 91 −8.665 −64.444 −14.2951.00 71.90 MOL3 C ATOM 11019 O THR H 91 −7.977 −65.248 −13.670 1.0074.87 MOL3 O ATOM 11020 N ALA H 92 −8.236 −63.233 −14.649 1.00 70.95MOL3 N ATOM 11021 CA ALA H 92 −6.886 −62.769 −14.318 1.00 71.24 MOL3 CATOM 11022 CB ALA H 92 −5.853 −63.826 −14.695 1.00 70.68 MOL3 C ATOM11023 C ALA H 92 −6.533 −61.467 −15.011 1.00 69.69 MOL3 C ATOM 11024 OALA H 92 −7.360 −60.858 −15.701 1.00 71.59 MOL3 O ATOM 11025 N VAL H 93−5.292 −61.043 −14.808 1.00 64.42 MOL3 N ATOM 11026 CA VAL H 93 −4.786−59.838 −15.432 1.00 61.96 MOL3 C ATOM 11027 CB VAL H 93 −3.846 −59.099−14.520 1.00 57.64 MOL3 C ATOM 11028 CG1 VAL H 93 −3.438 −57.804 −15.1641.00 59.76 MOL3 C ATOM 11029 CG2 VAL H 93 −4.508 −58.870 −13.192 1.0066.11 MOL3 C ATOM 11030 C VAL H 93 −3.978 −60.333 −16.613 1.00 63.36MOL3 C ATOM 11031 O VAL H 93 −3.042 −61.113 −16.443 1.00 64.35 MOL3 OATOM 11032 N TYR H 94 −4.343 −59.898 −17.810 1.00 60.17 MOL3 N ATOM11033 CA TYR H 94 −3.636 −60.336 −18.988 1.00 56.31 MOL3 C ATOM 11034 CBTYR H 94 −4.621 −60.527 −20.151 1.00 60.66 MOL3 C ATOM 11035 CG TYR H 94−5.413 −61.812 −20.006 1.00 62.05 MOL3 C ATOM 11036 CD1 TYR H 94 −6.233−62.017 −18.902 1.00 62.04 MOL3 C ATOM 11037 CE1 TYR H 94 −6.836 −63.237−18.674 1.00 64.76 MOL3 C ATOM 11038 CD2 TYR H 94 −5.235 −62.871 −20.8961.00 59.57 MOL3 C ATOM 11039 CE2 TYR H 94 −5.836 −64.100 −20.674 1.0060.07 MOL3 C ATOM 11040 CZ TYR H 94 −6.628 −64.275 −19.554 1.00 64.86MOL3 C ATOM 11041 OH TYR H 94 −7.164 −65.503 −19.265 1.00 66.73 MOL3 OATOM 11042 C TYR H 94 −2.543 −59.355 −19.334 1.00 56.03 MOL3 C ATOM11043 O TYR H 94 −2.800 −58.162 −19.488 1.00 58.70 MOL3 O ATOM 11044 NTYR H 95 −1.321 −59.881 −19.431 1.00 51.55 MOL3 N ATOM 11045 CA TYR H 95−0.137 −59.101 −19.744 1.00 42.22 MOL3 C ATOM 11046 CB TYR H 95 0.966−59.419 −18.755 1.00 38.82 MOL3 C ATOM 11047 CG TYR H 95 0.683 −58.970−17.355 1.00 39.30 MOL3 C ATOM 11048 CD1 TYR H 95 0.518 −59.893 −16.3261.00 37.89 MOL3 C ATOM 11049 CE1 TYR H 95 0.306 −59.476 −15.026 1.0034.23 MOL3 C ATOM 11050 CD2 TYR H 95 0.621 −57.619 −17.047 1.00 34.46MOL3 C ATOM 11051 CE2 TYR H 95 0.412 −57.199 −15.761 1.00 36.30 MOL3 CATOM 11052 CZ TYR H 95 0.256 −58.127 −14.750 1.00 34.68 MOL3 C ATOM11053 OH TYR H 95 0.062 −57.687 −13.461 1.00 39.66 MOL3 O ATOM 11054 CTYR H 95 0.387 −59.354 −21.141 1.00 44.72 MOL3 C ATOM 11055 O TYR H 950.356 −60.478 −21.658 1.00 46.91 MOL3 O ATOM 11056 N CYS H 96 0.893−58.288 −21.734 1.00 43.61 MOL3 N ATOM 11057 CA CYS H 96 1.454 −58.327−23.064 1.00 45.33 MOL3 C ATOM 11058 C CYS H 96 2.967 −58.281 −22.8301.00 43.95 MOL3 C ATOM 11059 O CYS H 96 3.444 −57.446 −22.060 1.00 48.14MOL3 O ATOM 11060 CB CYS H 96 0.949 −57.104 −23.794 1.00 43.81 MOL3 CATOM 11061 SG CYS H 96 1.413 −57.008 −25.520 1.00 63.60 MOL3 S ATOM11062 N ALA H 97 3.731 −59.172 −23.455 1.00 39.34 MOL3 N ATOM 11063 CAALA H 97 5.169 −59.161 −23.208 1.00 39.98 MOL3 C ATOM 11064 CB ALA H 975.505 −60.193 −22.169 1.00 41.47 MOL3 C ATOM 11065 C ALA H 97 6.040−59.369 −24.428 1.00 43.99 MOL3 C ATOM 11066 O ALA H 97 5.839 −60.323−25.185 1.00 49.59 MOL3 O ATOM 11067 N SER H 98 7.029 −58.490 −24.5991.00 45.50 MOL3 N ATOM 11068 CA SER H 98 7.949 −58.582 −25.739 1.0048.71 MOL3 C ATOM 11069 CB SER H 98 8.040 −57.237 −26.455 1.00 47.09MOL3 C ATOM 11070 OG SER H 98 8.883 −56.349 −25.738 1.00 52.41 MOL3 OATOM 11071 C SER H 98 9.363 −59.014 −25.327 1.00 48.46 MOL3 C ATOM 11072O SER H 98 9.743 −58.927 −24.163 1.00 52.57 MOL3 O ATOM 11073 N PRO H 9910.160 −59.496 −26.284 1.00 46.43 MOL3 N ATOM 11074 CD PRO H 99 9.820−59.832 −27.673 1.00 45.79 MOL3 C ATOM 11075 CA PRO H 99 11.522 −59.923−25.968 1.00 47.57 MOL3 C ATOM 11076 CB PRO H 99 11.836 −60.899 −27.0841.00 47.27 MOL3 C ATOM 11077 CG PRO H 99 11.155 −60.268 −28.228 1.0045.69 MOL3 C ATOM 11078 C PRO H 99 12.439 −58.718 −26.008 1.00 48.22MOL3 C ATOM 11079 O PRO H 99 12.025 −57.635 −26.412 1.00 46.92 MOL3 OATOM 11080 N PRO H 100 13.703 −58.899 −25.609 1.00 48.79 MOL3 N ATOM11081 CD PRO H 100 14.264 −60.173 −25.141 1.00 50.49 MOL3 C ATOM 11082CA PRO H 100 14.723 −57.852 −25.579 1.00 47.39 MOL3 C ATOM 11083 CB PROH 100 15.859 −58.518 −24.825 1.00 46.63 MOL3 C ATOM 11084 CG PRO H 10015.738 −59.919 −25.254 1.00 49.38 MOL3 C ATOM 11085 C PRO H 100 15.133−57.318 −26.954 1.00 48.05 MOL3 C ATOM 11086 O PRO H 100 15.271 −58.067−27.914 1.00 46.59 MOL3 O ATOM 11087 N GLN H 101 15.311 −56.000 −27.0151.00 52.43 MOL3 N ATOM 11088 CA GLN H 101 15.673 −55.276 −28.222 1.0047.42 MOL3 C ATOM 11089 CB GLN H 101 15.685 −53.763 −27.932 1.00 50.83MOL3 C ATOM 11090 CG GLN H 101 14.380 −53.185 −27.330 1.00 56.39 MOL3 CATOM 11091 CD GLN H 101 14.554 −52.571 −25.905 1.00 67.61 MOL3 C ATOM11092 OE1 GLN H 101 14.920 −53.261 −24.932 1.00 59.74 MOL3 O ATOM 11093NE2 GLN H 101 14.282 −51.268 −25.790 1.00 69.40 MOL3 N ATOM 11094 C GLNH 101 17.025 −55.755 −28.760 1.00 50.03 MOL3 C ATOM 11095 O GLN H 10117.267 −55.677 −29.967 1.00 48.86 MOL3 O ATOM 11096 N TYR H 102 17.923−56.221 −27.887 1.00 50.25 MOL3 N ATOM 11097 CA TYR H 102 19.182 −56.772−28.394 1.00 55.53 MOL3 C ATOM 11098 CB TYR H 102 20.284 −56.770 −27.3361.00 46.94 MOL3 C ATOM 11099 CG TYR H 102 19.803 −56.769 −25.913 1.0055.59 MOL3 C ATOM 11100 CD1 TYR H 102 19.351 −57.930 −25.316 1.00 69.84MOL3 C ATOM 11101 CE1 TYR H 102 18.923 −57.950 −23.989 1.00 67.91 MOL3 CATOM 11102 CD2 TYR H 102 19.816 −55.617 −25.154 1.00 53.29 MOL3 C ATOM11103 CE2 TYR H 102 19.390 −55.623 −23.830 1.00 62.04 MOL3 C ATOM 11104CZ TYR H 102 18.944 −56.796 −23.256 1.00 63.06 MOL3 C ATOM 11105 OH TYRH 102 18.500 −56.827 −21.958 1.00 65.21 MOL3 O ATOM 11106 C TYR H 10218.831 −58.200 −28.834 1.00 60.02 MOL3 C ATOM 11107 O TYR H 102 17.725−58.442 −29.325 1.00 64.79 MOL3 O ATOM 11108 N TYR H 103 19.729 −59.156−28.691 1.00 57.42 MOL3 N ATOM 11109 CA TYR H 103 19.374 −60.518 −29.1141.00 60.46 MOL3 C ATOM 11110 CB TYR H 103 18.664 −61.242 −27.961 1.0045.82 MOL3 C ATOM 11111 CG TYR H 103 19.618 −61.651 −26.880 1.00 39.77MOL3 C ATOM 11112 CD1 TYR H 103 20.638 −62.551 −27.146 1.00 36.24 MOL3 CATOM 11113 CE1 TYR H 103 21.625 −62.806 −26.220 1.00 34.88 MOL3 C ATOM11114 CD2 TYR H 103 19.599 −61.029 −25.642 1.00 33.49 MOL3 C ATOM 11115CE2 TYR H 103 20.582 −61.275 −24.704 1.00 34.89 MOL3 C ATOM 11116 CZ TYRH 103 21.597 −62.163 −25.002 1.00 37.47 MOL3 C ATOM 11117 OH TYR H 10322.610 −62.383 −24.096 1.00 40.59 MOL3 O ATOM 11118 C TYR H 103 18.557−60.772 −30.413 1.00 62.77 MOL3 C ATOM 11119 O TYR H 103 19.063 −60.708−31.538 1.00 64.32 MOL3 O ATOM 11120 N GLU H 104 17.281 −61.067 −30.2191.00 68.52 MOL3 N ATOM 11121 CA GLU H 104 16.352 −61.445 −31.280 1.0073.65 MOL3 C ATOM 11122 CB GLU H 104 15.765 −60.284 −32.065 1.00 75.49MOL3 C ATOM 11123 CG GLU H 104 14.287 −60.576 −32.462 1.00 79.39 MOL3 CATOM 11124 CD GLU H 104 14.026 −61.971 −33.098 1.00 81.53 MOL3 C ATOM11125 OE1 GLU H 104 14.326 −62.152 −34.298 1.00 83.61 MOL3 O ATOM 11126OE2 GLU H 104 13.504 −62.885 −32.412 1.00 71.90 MOL3 O ATOM 11127 C GLUH 104 16.970 −62.390 −32.255 1.00 77.87 MOL3 C ATOM 11128 O GLU H 10417.094 −63.566 −31.945 1.00 82.18 MOL3 O ATOM 11129 N GLY H 105 17.356−61.883 −33.426 1.00 83.29 MOL3 N ATOM 11130 CA GLY H 105 17.925 −62.738−34.461 1.00 91.56 MOL3 C ATOM 11131 C GLY H 105 16.860 −63.698 −35.0081.00 94.92 MOL3 C ATOM 11132 O GLY H 105 16.944 −64.140 −36.159 1.0098.10 MOL3 O ATOM 11133 N SER H 106 15.865 −63.993 −34.157 1.00 91.38MOL3 N ATOM 11134 CA SER H 106 14.724 −64.883 −34.406 1.00 79.67 MOL3 CATOM 11135 CB SER H 106 14.992 −65.830 −35.568 1.00 82.97 MOL3 C ATOM11136 OG SER H 106 15.976 −66.790 −35.220 1.00 87.86 MOL3 O ATOM 11137 CSER H 106 14.516 −65.709 −33.135 1.00 76.13 MOL3 C ATOM 11138 O SER H106 13.424 −66.194 −32.874 1.00 74.49 MOL3 O ATOM 11139 N ILE H 10715.595 −65.862 −32.368 1.00 70.79 MOL3 N ATOM 11140 CA ILE H 107 15.648−66.599 −31.103 1.00 65.83 MOL3 C ATOM 11141 CB ILE H 107 16.545 −65.844−30.114 1.00 57.68 MOL3 C ATOM 11142 CG2 ILE H 107 16.497 −66.513−28.753 1.00 52.02 MOL3 C ATOM 11143 CG1 ILE H 107 17.965 −65.767−30.680 1.00 53.71 MOL3 C ATOM 11144 CD1 ILE H 107 18.924 −64.891−29.897 1.00 51.07 MOL3 C ATOM 11145 C ILE H 107 14.305 −66.864 −30.4231.00 71.45 MOL3 C ATOM 11146 O ILE H 107 13.680 −65.946 −29.897 1.0075.63 MOL3 O ATOM 11147 N TYR H 108 13.877 −68.122 −30.395 1.00 72.70MOL3 N ATOM 11148 CA TYR H 108 12.590 −68.453 −29.788 1.00 70.96 MOL3 CATOM 11149 CB TYR H 108 12.095 −69.821 −30.276 1.00 75.57 MOL3 C ATOM11150 CG TYR H 108 10.795 −70.266 −29.633 1.00 76.72 MOL3 C ATOM 11151CD1 TYR H 108 9.587 −69.672 −29.968 1.00 79.87 MOL3 C ATOM 11152 CE1 TYRH 108 8.398 −70.052 −29.342 1.00 84.10 MOL3 C ATOM 11153 CD2 TYR H 10810.785 −71.254 −28.658 1.00 79.63 MOL3 C ATOM 11154 CE2 TYR H 108 9.607−71.638 −28.026 1.00 84.89 MOL3 C ATOM 11155 CZ TYR H 108 8.418 −71.033−28.367 1.00 85.99 MOL3 C ATOM 11156 OH TYR H 108 7.262 −71.382 −27.6981.00 85.76 MOL3 O ATOM 11157 C TYR H 108 12.582 −68.447 −28.269 1.0066.39 MOL3 C ATOM 11158 O TYR H 108 11.756 −67.763 −27.662 1.00 66.11MOL3 O ATOM 11159 N ARG H 109 13.501 −69.210 −27.672 1.00 60.68 MOL3 NATOM 11160 CA ARG H 109 13.622 −69.367 −26.212 1.00 57.47 MOL3 C ATOM11161 CB ARG H 109 14.825 −70.256 −25.877 1.00 64.22 MOL3 C ATOM 11162CG ARG H 109 14.804 −71.664 −26.449 1.00 77.26 MOL3 C ATOM 11163 CD ARGH 109 13.703 −72.498 −25.832 1.00 86.22 MOL3 C ATOM 11164 NE ARG H 10913.930 −73.935 −25.963 1.00 97.73 MOL3 N ATOM 11165 CZ ARG H 109 13.978−74.596 −27.117 1.00 105.94 MOL3 C ATOM 11166 NH1 ARG H 109 13.820−73.958 −28.272 1.00 107.40 MOL3 N ATOM 11167 NH2 ARG H 109 14.172−75.908 −27.113 1.00 113.45 MOL3 N ATOM 11168 C ARG H 109 13.763 −68.076−25.405 1.00 53.74 MOL3 C ATOM 11169 O ARG H 109 13.870 −68.107 −24.1781.00 50.39 MOL3 O ATOM 11170 N LEU H 110 13.764 −66.950 −26.104 1.0052.94 MOL3 N ATOM 11171 CA LEU H 110 13.920 −65.620 −25.516 1.00 44.20MOL3 C ATOM 11172 CB LEU H 110 13.718 −64.580 −26.611 1.00 44.89 MOL3 CATOM 11173 CG LEU H 110 14.757 −63.476 −26.691 1.00 42.03 MOL3 C ATOM11174 CD1 LEU H 110 15.903 −63.797 −25.744 1.00 44.64 MOL3 C ATOM 11175CD2 LEU H 110 15.237 −63.363 −28.118 1.00 27.69 MOL3 C ATOM 11176 C LEUH 110 12.999 −65.288 −24.367 1.00 40.38 MOL3 C ATOM 11177 O LEU H 11011.781 −65.399 −24.491 1.00 43.05 MOL3 O ATOM 11178 N TRP H 111 13.580−64.844 −23.259 1.00 41.21 MOL3 N ATOM 11179 CA TRP H 111 12.796 −64.463−22.081 1.00 46.91 MOL3 C ATOM 11180 CB TRP H 111 13.723 −64.172 −20.9271.00 44.02 MOL3 C ATOM 11181 CG TRP H 111 14.741 −63.205 −21.304 1.0044.21 MOL3 C ATOM 11182 CD2 TRP H 111 15.962 −63.484 −21.974 1.00 46.92MOL3 C ATOM 11183 CE2 TRP H 111 16.635 −62.274 −22.132 1.00 47.79 MOL3 CATOM 11184 CE3 TRP H 111 16.554 −64.646 −22.454 1.00 56.76 MOL3 C ATOM11185 CD1 TRP H 111 14.713 −61.878 −21.092 1.00 51.48 MOL3 C ATOM 11186NE1 TRP H 111 15.854 −61.298 −21.584 1.00 55.01 MOL3 N ATOM 11187 CZ2TRP H 111 17.865 −62.190 −22.744 1.00 57.38 MOL3 C ATOM 11188 CZ3 TRP H111 17.783 −64.560 −23.063 1.00 56.79 MOL3 C ATOM 11189 CH2 TRP H 11118.424 −63.349 −23.202 1.00 57.16 MOL3 C ATOM 11190 C TRP H 111 12.101−63.190 −22.460 1.00 47.34 MOL3 C ATOM 11191 O TRP H 111 12.016 −62.875−23.645 1.00 58.35 MOL3 O ATOM 11192 N PHE H 112 11.576 −62.454 −21.4881.00 42.90 MOL3 N ATOM 11193 CA PHE H 112 10.974 −61.191 −21.876 1.0050.92 MOL3 C ATOM 11194 CB PHE H 112 9.540 −61.348 −22.475 1.00 59.93MOL3 C ATOM 11195 CG PHE H 112 8.655 −62.430 −21.854 1.00 57.20 MOL3 CATOM 11196 CD1 PHE H 112 7.995 −63.347 −22.687 1.00 51.87 MOL3 C ATOM11197 CD2 PHE H 112 8.422 −62.496 −20.500 1.00 52.26 MOL3 C ATOM 11198CE1 PHE H 112 7.135 −64.297 −22.191 1.00 34.50 MOL3 C ATOM 11199 CE2 PHEH 112 7.551 −63.459 −20.001 1.00 55.87 MOL3 C ATOM 11200 CZ PHE H 1126.911 −64.359 −20.860 1.00 43.50 MOL3 C ATOM 11201 C PHE H 112 10.988−60.016 −20.927 1.00 48.47 MOL3 C ATOM 11202 O PHE H 112 10.466 −60.088−19.814 1.00 42.85 MOL3 O ATOM 11203 N ALA H 113 11.630 −58.941 −21.3971.00 47.44 MOL3 N ATOM 11204 CA ALA H 113 11.699 −57.677 −20.674 1.0044.75 MOL3 C ATOM 11205 CB ALA H 113 12.964 −56.955 −20.977 1.00 43.44MOL3 C ATOM 11206 C ALA H 113 10.540 −56.950 −21.298 1.00 45.85 MOL3 CATOM 11207 O ALA H 113 10.031 −57.385 −22.323 1.00 53.70 MOL3 O ATOM11208 N HIS H 114 10.101 −55.856 −20.706 1.00 44.73 MOL3 N ATOM 11209 CAHIS H 114 8.965 −55.140 −21.275 1.00 43.87 MOL3 C ATOM 11210 CB HIS H114 9.236 −54.796 −22.734 1.00 47.49 MOL3 C ATOM 11211 CG HIS H 11410.571 −54.178 −22.965 1.00 47.48 MOL3 C ATOM 11212 CD2 HIS H 114 11.557−54.489 −23.837 1.00 47.60 MOL3 C ATOM 11213 ND1 HIS H 114 11.019−53.093 −22.241 1.00 52.82 MOL3 N ATOM 11214 CE1 HIS H 114 12.229−52.764 −22.657 1.00 59.40 MOL3 C ATOM 11215 NE2 HIS H 114 12.579−53.595 −23.625 1.00 58.20 MOL3 N ATOM 11216 C HIS H 114 7.645 −55.916−21.195 1.00 40.81 MOL3 C ATOM 11217 O HIS H 114 7.375 −56.835 −21.9781.00 35.72 MOL3 O ATOM 11218 N TRP H 115 6.832 −55.519 −20.228 1.0041.79 MOL3 N ATOM 11219 CA TRP H 115 5.514 −56.086 −19.994 1.00 41.86MOL3 C ATOM 11220 CB TRP H 115 5.393 −56.663 −18.576 1.00 38.41 MOL3 CATOM 11221 CG TRP H 115 6.217 −57.853 −18.289 1.00 37.34 MOL3 C ATOM11222 CD2 TRP H 115 5.746 −59.155 −17.909 1.00 43.06 MOL3 C ATOM 11223CE2 TRP H 115 6.880 −59.982 −17.760 1.00 40.84 MOL3 C ATOM 11224 CE3 TRPH 115 4.477 −59.703 −17.688 1.00 39.73 MOL3 C ATOM 11225 CD1 TRP H 1157.566 −57.939 −18.346 1.00 39.27 MOL3 C ATOM 11226 NE1 TRP H 115 7.980−59.215 −18.032 1.00 41.55 MOL3 N ATOM 11227 CZ2 TRP H 115 6.786 −61.326−17.400 1.00 35.42 MOL3 C ATOM 11228 CZ3 TRP H 115 4.386 −61.033 −17.3351.00 37.87 MOL3 C ATOM 11229 CH2 TRP H 115 5.536 −61.831 −17.193 1.0037.55 MOL3 C ATOM 11230 C TRP H 115 4.580 −54.878 −20.081 1.00 45.00MOL3 C ATOM 11231 O TRP H 115 4.990 −53.743 −19.831 1.00 45.07 MOL3 OATOM 11232 N GLY H 116 3.324 −55.108 −20.427 1.00 43.82 MOL3 N ATOM11233 CA GLY H 116 2.408 −53.992 −20.479 1.00 47.62 MOL3 C ATOM 11234 CGLY H 116 1.920 −53.792 −19.064 1.00 50.34 MOL3 C ATOM 11235 O GLY H 1162.449 −54.402 −18.154 1.00 45.88 MOL3 O ATOM 11236 N GLN H 117 0.928−52.937 −18.857 1.00 58.66 MOL3 N ATOM 11237 CA GLN H 117 0.401 −52.751−17.514 1.00 61.51 MOL3 C ATOM 11238 CB GLN H 117 −0.203 −51.349 −17.3541.00 70.43 MOL3 C ATOM 11239 CG GLN H 117 −0.659 −50.680 −18.656 1.0087.36 MOL3 C ATOM 11240 CD GLN H 117 −1.991 −51.204 −19.170 1.00 92.80MOL3 C ATOM 11241 OE1 GLN H 117 −3.021 −51.085 −18.499 1.00 95.16 MOL3 OATOM 11242 NE2 GLN H 117 −1.978 −51.780 −20.368 1.00 92.67 MOL3 N ATOM11243 C GLN H 117 −0.640 −53.844 −17.261 1.00 59.17 MOL3 C ATOM 11244 OGLN H 117 −0.942 −54.172 −16.121 1.00 60.38 MOL3 O ATOM 11245 N GLY H118 −1.172 −54.415 −18.338 1.00 58.73 MOL3 N ATOM 11246 CA GLY H 118−2.146 −55.487 −18.216 1.00 52.72 MOL3 C ATOM 11247 C GLY H 118 −3.582−55.045 −18.058 1.00 50.79 MOL3 C ATOM 11248 O GLY H 118 −3.842 −53.941−17.590 1.00 52.19 MOL3 O ATOM 11249 N THR H 119 −4.515 −55.903 −18.4651.00 51.53 MOL3 N ATOM 11250 CA THR H 119 −5.944 −55.609 −18.339 1.0052.25 MOL3 C ATOM 11251 CB THR H 119 −6.646 −55.514 −19.675 1.00 51.94MOL3 C ATOM 11252 OG1 THR H 119 −6.441 −56.736 −20.390 1.00 46.45 MOL3 OATOM 11253 CG2 THR H 119 −6.125 −54.334 −20.460 1.00 58.58 MOL3 C ATOM11254 C THR H 119 −6.629 −56.729 −17.591 1.00 49.07 MOL3 C ATOM 11255 OTHR H 119 −6.326 −57.904 −17.787 1.00 42.26 MOL3 O ATOM 11256 N LEU H120 −7.577 −56.356 −16.748 1.00 50.02 MOL3 N ATOM 11257 CA LEU H 120−8.294 −57.337 −15.965 0.50 47.90 MOL3 C ATOM 11258 CB LEU H 120 −8.811−56.699 −14.694 1.00 47.04 MOL3 C ATOM 11259 CG LEU H 120 −9.591 −57.678−13.851 1.00 42.65 MOL3 C ATOM 11260 CD1 LEU H 120 −8.945 −59.043−13.898 1.00 42.81 MOL3 C ATOM 11261 CD2 LEU H 120 −9.648 −57.133−12.443 1.00 57.87 MOL3 C ATOM 11262 C LEU H 120 −9.446 −57.984 −16.7111.00 47.31 MOL3 C ATOM 11263 O LEU H 120 −10.246 −57.312 −17.360 1.0053.62 MOL3 O ATOM 11264 N VAL H 121 −9.526 −59.301 −16.615 1.00 43.57MOL3 N ATOM 11265 CA VAL H 121 −10.585 −60.048 −17.274 1.00 46.90 MOL3 CATOM 11266 CB VAL H 121 −10.028 −60.913 −18.431 1.00 42.22 MOL3 C ATOM11267 CG1 VAL H 121 −11.013 −61.946 −18.860 1.00 35.72 MOL3 C ATOM 11268CG2 VAL H 121 −9.749 −60.053 −19.608 1.00 57.37 MOL3 C ATOM 11269 C VALH 121 −11.228 −60.957 −16.247 1.00 54.19 MOL3 C ATOM 11270 O VAL H 121−10.612 −61.919 −15.795 1.00 54.20 MOL3 O ATOM 11271 N THR H 122 −12.459−60.648 −15.855 1.00 61.64 MOL3 N ATOM 11272 CA THR H 122 −13.143−61.485 −14.879 1.00 64.37 MOL3 C ATOM 11273 CB THR H 122 −13.480−60.709 −13.556 1.00 64.21 MOL3 C ATOM 11274 OG1 THR H 122 −14.752−61.149 −13.063 1.00 63.64 MOL3 O ATOM 11275 CG2 THR H 122 −13.478−59.192 −13.769 1.00 58.83 MOL3 C ATOM 11276 C THR H 122 −14.389 −62.179−15.417 1.00 64.05 MOL3 C ATOM 11277 O THR H 122 −15.403 −61.563 −15.7461.00 64.50 MOL3 O ATOM 11278 N VAL H 123 −14.281 −63.491 −15.514 1.0066.51 MOL3 N ATOM 11279 CA VAL H 123 −15.375 −64.306 −15.995 1.00 75.45MOL3 C ATOM 11280 CB VAL H 123 −14.827 −65.500 −16.821 1.00 76.15 MOL3 CATOM 11281 CG1 VAL H 123 −13.889 −66.316 −15.973 1.00 80.19 MOL3 C ATOM11282 CG2 VAL H 123 −15.958 −66.356 −17.343 1.00 75.45 MOL3 C ATOM 11283C VAL H 123 −16.220 −64.801 −14.809 1.00 77.76 MOL3 C ATOM 11284 O VAL H123 −15.848 −65.743 −14.101 1.00 76.11 MOL3 O ATOM 11285 N SER H 124−17.353 −64.140 −14.587 1.00 80.57 MOL3 N ATOM 11286 CA SER H 124−18.257 −64.513 −13.505 1.00 86.50 MOL3 C ATOM 11287 CB SER H 124−18.024 −63.626 −12.277 1.00 93.22 MOL3 C ATOM 11288 OG SER H 124−18.629 −64.176 −11.112 1.00 98.83 MOL3 O ATOM 11289 C SER H 124 −19.701−64.392 −13.971 1.00 87.68 MOL3 C ATOM 11290 O SER H 124 −20.028 −63.548−14.803 1.00 90.87 MOL3 O ATOM 11291 N SER H 125 −20.561 −65.248 −13.4321.00 89.63 MOL3 N ATOM 11292 CA SER H 125 −21.977 −65.265 −13.791 1.0092.13 MOL3 C ATOM 11293 CB SER H 125 −22.540 −66.674 −13.572 1.00 96.84MOL3 C ATOM 11294 OG SER H 125 −22.293 −67.117 −12.244 1.00 100.51 MOL3O ATOM 11295 C SER H 125 −22.800 −64.257 −12.991 1.00 88.79 MOL3 C ATOM11296 O SER H 125 −23.919 −63.917 −13.372 1.00 85.49 MOL3 O ATOM 11297 NALA H 126 −22.237 −63.790 −11.883 1.00 86.00 MOL3 N ATOM 11298 CA ALA H126 −22.907 −62.832 −11.016 1.00 84.53 MOL3 C ATOM 11299 CB ALA H 126−21.996 −62.442 −9.881 1.00 88.38 MOL3 C ATOM 11300 C ALA H 126 −23.306−61.596 −11.788 1.00 83.73 MOL3 C ATOM 11301 O ALA H 126 −22.737 −61.307−12.833 1.00 81.09 MOL3 O ATOM 11302 N LYS H 127 −24.281 −60.863 −11.2591.00 86.86 MOL3 N ATOM 11303 CA LYS H 127 −24.763 −59.646 −11.906 1.0087.73 MOL3 C ATOM 11304 CB LYS H 127 −26.265 −59.743 −12.215 1.00 97.62MOL3 C ATOM 11305 CG LYS H 127 −26.743 −61.083 −12.805 1.00 110.82 MOL3C ATOM 11306 CD LYS H 127 −26.864 −62.183 −11.726 1.00 119.00 MOL3 CATOM 11307 CE LYS H 127 −27.463 −63.487 −12.279 1.00 121.43 MOL3 C ATOM11308 NZ LYS H 127 −27.600 −64.559 −11.240 1.00 119.53 MOL3 N ATOM 11309C LYS H 127 −24.508 −58.457 −10.997 1.00 83.80 MOL3 C ATOM 11310 O LYS H127 −24.482 −58.591 −9.773 1.00 88.07 MOL3 O ATOM 11311 N THR H 128−24.325 −57.289 −11.593 1.00 77.90 MOL3 N ATOM 11312 CA THR H 128−24.049 −56.092 −10.813 1.00 76.97 MOL3 C ATOM 11313 CB THR H 128−23.952 −54.860 −11.731 1.00 74.21 MOL3 C ATOM 11314 OG1 THR H 128−22.834 −55.017 −12.615 1.00 70.27 MOL3 O ATOM 11315 CG2 THR H 128−23.762 −53.599 −10.915 1.00 72.38 MOL3 C ATOM 11316 C THR H 128 −25.057−55.836 −9.686 1.00 77.21 MOL3 C ATOM 11317 O THR H 128 −26.250 −55.648−9.930 1.00 85.96 MOL3 O ATOM 11318 N THR H 129 −24.572 −55.848 −8.4481.00 69.74 MOL3 N ATOM 11319 CA THR H 129 −25.438 −55.613 −7.310 1.0067.73 MOL3 C ATOM 11320 CB THR H 129 −25.731 −56.929 −6.519 1.00 69.81MOL3 C ATOM 11321 OG1 THR H 129 −24.634 −57.234 −5.656 1.00 76.97 MOL3 OATOM 11322 CG2 THR H 129 −25.943 −58.103 −7.461 1.00 65.64 MOL3 C ATOM11323 C THR H 129 −24.797 −54.596 −6.378 1.00 67.68 MOL3 C ATOM 11324 OTHR H 129 −23.605 −54.657 −6.103 1.00 71.46 MOL3 O ATOM 11325 N PRO H130 −25.565 −53.597 −5.933 1.00 66.63 MOL3 N ATOM 11326 CD PRO H 130−26.673 −52.937 −6.633 1.00 65.48 MOL3 C ATOM 11327 CA PRO H 130 −24.896−52.664 −5.031 1.00 65.88 MOL3 C ATOM 11328 CB PRO H 130 −25.787 −51.419−5.071 1.00 60.89 MOL3 C ATOM 11329 CG PRO H 130 −27.069 −51.890 −5.6491.00 62.80 MOL3 C ATOM 11330 C PRO H 130 −24.710 −53.295 −3.652 1.0069.90 MOL3 C ATOM 11331 O PRO H 130 −25.303 −54.334 −3.345 1.00 73.73MOL3 O ATOM 11332 N PRO H 131 −23.857 −52.689 −2.817 1.00 70.45 MOL3 NATOM 11333 CD PRO H 131 −23.104 −51.471 −3.161 1.00 65.90 MOL3 C ATOM11334 CA PRO H 131 −23.512 −53.127 −1.465 1.00 73.01 MOL3 C ATOM 11335CB PRO H 131 −22.194 −52.427 −1.231 1.00 70.44 MOL3 C ATOM 11336 CG PROH 131 −22.474 −51.095 −1.841 1.00 64.04 MOL3 C ATOM 11337 C PRO H 131−24.497 −52.773 −0.386 1.00 76.32 MOL3 C ATOM 11338 O PRO H 131 −25.164−51.748 −0.462 1.00 76.84 MOL3 O ATOM 11339 N SER H 132 −24.582 −53.6340.619 1.00 77.23 MOL3 N ATOM 11340 CA SER H 132 −25.444 −53.370 1.7451.00 79.52 MOL3 C ATOM 11341 CB SER H 132 −26.223 −54.626 2.136 1.0079.39 MOL3 C ATOM 11342 OG SER H 132 −27.347 −54.782 1.281 1.00 76.18MOL3 O ATOM 11343 C SER H 132 −24.429 −52.953 2.794 1.00 80.16 MOL3 CATOM 11344 O SER H 132 −23.408 −53.613 2.969 1.00 81.05 MOL3 O ATOM11345 N VAL H 133 −24.678 −51.833 3.462 1.00 80.73 MOL3 N ATOM 11346 CAVAL H 133 −23.729 −51.354 4.456 1.00 77.55 MOL3 C ATOM 11347 CB VAL H133 −23.234 −49.961 4.068 1.00 74.70 MOL3 C ATOM 11348 CG1 VAL H 133−22.156 −49.503 5.036 1.00 67.89 MOL3 C ATOM 11349 CG2 VAL H 133 −22.724−49.992 2.636 1.00 67.06 MOL3 C ATOM 11350 C VAL H 133 −24.230 −51.3375.895 1.00 77.11 MOL3 C ATOM 11351 O VAL H 133 −25.209 −50.671 6.2291.00 79.78 MOL3 O ATOM 11352 N TYR H 134 −23.532 −52.075 6.745 1.0073.64 MOL3 N ATOM 11353 CA TYR H 134 −23.893 −52.168 8.139 1.00 73.17MOL3 C ATOM 11354 CB TYR H 134 −24.151 −53.640 8.456 1.00 76.33 MOL3 CATOM 11355 CG TYR H 134 −25.084 −54.241 7.440 1.00 69.54 MOL3 C ATOM11356 CD1 TYR H 134 −26.348 −53.716 7.255 1.00 70.76 MOL3 C ATOM 11357CE1 TYR H 134 −27.185 −54.198 6.290 1.00 72.81 MOL3 C ATOM 11358 CD2 TYRH 134 −24.685 −55.279 6.628 1.00 67.53 MOL3 C ATOM 11359 CE2 TYR H 134−25.522 −55.775 5.653 1.00 70.39 MOL3 C ATOM 11360 CZ TYR H 134 −26.774−55.229 5.487 1.00 71.99 MOL3 C ATOM 11361 OH TYR H 134 −27.635 −55.7114.521 1.00 73.51 MOL3 O ATOM 11362 C TYR H 134 −22.760 −51.597 8.9721.00 68.63 MOL3 C ATOM 11363 O TYR H 134 −21.594 −51.752 8.631 1.0065.24 MOL3 O ATOM 11364 N PRO H 135 −23.096 −50.886 10.047 1.00 65.60MOL3 N ATOM 11365 CD PRO H 135 −24.381 −50.182 10.147 1.00 61.86 MOL3 CATOM 11366 CA PRO H 135 −22.103 −50.284 10.938 1.00 69.19 MOL3 C ATOM11367 CB PRO H 135 −22.797 −49.015 11.403 1.00 69.64 MOL3 C ATOM 11368CG PRO H 135 −24.228 −49.433 11.438 1.00 70.95 MOL3 C ATOM 11369 C PRO H135 −21.665 −51.172 12.099 1.00 70.59 MOL3 C ATOM 11370 O PRO H 135−22.488 −51.757 12.802 1.00 78.60 MOL3 O ATOM 11371 N LEU H 136 −20.359−51.267 12.296 1.00 65.79 MOL3 N ATOM 11372 CA LEU H 136 −19.826 −52.07513.371 1.00 71.09 MOL3 C ATOM 11373 CB LEU H 136 −18.494 −52.678 12.9371.00 68.96 MOL3 C ATOM 11374 CG LEU H 136 −18.519 −53.926 12.050 1.0069.64 MOL3 C ATOM 11375 CD1 LEU H 136 −19.863 −54.060 11.356 1.00 72.74MOL3 C ATOM 11376 CD2 LEU H 136 −17.374 −53.851 11.047 1.00 63.09 MOL3 CATOM 11377 C LEU H 136 −19.642 −51.218 14.618 1.00 76.09 MOL3 C ATOM11378 O LEU H 136 −18.699 −50.437 14.710 1.00 74.57 MOL3 O ATOM 11379 NALA H 137 −20.552 −51.365 15.577 1.00 81.71 MOL3 N ATOM 11380 CA ALA H137 −20.484 −50.606 16.817 1.00 84.93 MOL3 C ATOM 11381 CB ALA H 137−21.803 −49.900 17.054 1.00 82.25 MOL3 C ATOM 11382 C ALA H 137 −20.158−51.528 17.989 1.00 89.90 MOL3 C ATOM 11383 O ALA H 137 −20.551 −52.69918.003 1.00 93.75 MOL3 O ATOM 11384 N PRO H 138 −19.433 −51.008 18.9901.00 91.29 MOL3 N ATOM 11385 CD PRO H 138 −18.930 −49.624 19.015 1.0085.59 MOL3 C ATOM 11386 CA PRO H 138 −19.019 −51.733 20.196 1.00 94.76MOL3 C ATOM 11387 CB PRO H 138 −18.372 −50.638 21.038 1.00 89.04 MOL3 CATOM 11388 CG PRO H 138 −17.817 −49.714 20.010 1.00 84.54 MOL3 C ATOM11389 C PRO H 138 −20.176 −52.407 20.937 1.00 100.89 MOL3 C ATOM 11390 OPRO H 138 −21.345 −52.148 20.660 1.00 100.36 MOL3 O ATOM 11391 N GLY H139 −19.836 −53.279 21.878 1.00 109.51 MOL3 N ATOM 11392 CA GLY H 139−20.853 −53.941 22.670 1.00 120.98 MOL3 C ATOM 11393 C GLY H 139 −20.971−53.181 23.978 1.00 128.74 MOL3 C ATOM 11394 O GLY H 139 −20.295 −52.16924.177 1.00 128.54 MOL3 O ATOM 11395 N SER H 140 −21.822 −53.650 24.8781.00 135.63 MOL3 N ATOM 11396 CA SER H 140 −21.972 −52.966 26.150 1.00141.95 MOL3 C ATOM 11397 CB SER H 140 −23.390 −53.172 26.677 1.00 144.66MOL3 C ATOM 11398 OG SER H 140 −24.334 −52.676 25.736 1.00 145.22 MOL3 OATOM 11399 C SER H 140 −20.926 −53.468 27.140 1.00 145.89 MOL3 C ATOM11400 O SER H 140 −21.219 −53.715 28.310 1.00 145.25 MOL3 O ATOM 11401 NALA H 141 −19.697 −53.609 26.647 1.00 151.86 MOL3 N ATOM 11402 CA ALA H141 −18.571 −54.078 27.451 1.00 157.16 MOL3 C ATOM 11403 CB ALA H 141−17.701 −55.025 26.630 1.00 156.03 MOL3 C ATOM 11404 C ALA H 141 −17.730−52.911 27.973 1.00 160.68 MOL3 C ATOM 11405 O ALA H 141 −16.497 −52.99028.026 1.00 160.33 MOL3 O ATOM 11406 N ALA H 142 −18.412 −51.831 28.3481.00 164.19 MOL3 N ATOM 11407 CA ALA H 142 −17.776 −50.631 28.893 1.00166.64 MOL3 C ATOM 11408 CB ALA H 142 −17.255 −50.915 30.311 1.00 166.91MOL3 C ATOM 11409 C ALA H 142 −16.650 −50.055 28.032 1.00 166.72 MOL3 CATOM 11410 O ALA H 142 −16.377 −50.539 26.931 1.00 165.63 MOL3 O ATOM11411 N GLN H 143 −16.003 −49.013 28.554 1.00 166.73 MOL3 N ATOM 11412CA GLN H 143 −14.907 −48.341 27.859 1.00 164.95 MOL3 C ATOM 11413 CB GLNH 143 −15.225 −46.854 27.665 1.00 163.69 MOL3 C ATOM 11414 CG GLN H 143−15.857 −46.513 26.323 1.00 161.37 MOL3 C ATOM 11415 CD GLN H 143−17.151 −47.261 26.071 1.00 160.20 MOL3 C ATOM 11416 OE1 GLN H 143−18.101 −47.162 26.851 1.00 159.41 MOL3 O ATOM 11417 NE2 GLN H 143−17.198 −48.014 24.974 1.00 156.54 MOL3 N ATOM 11418 C GLN H 143 −13.556−48.471 28.556 1.00 164.79 MOL3 C ATOM 11419 O GLN H 143 −13.273 −47.77929.540 1.00 163.41 MOL3 O ATOM 11420 N THR H 144 −12.724 −49.365 28.0341.00 164.54 MOL3 N ATOM 11421 CA THR H 144 −11.390 −49.570 28.578 1.00163.56 MOL3 C ATOM 11422 CB THR H 144 −11.071 −51.078 28.775 1.00 165.35MOL3 C ATOM 11423 OG1 THR H 144 −12.120 −51.698 29.532 1.00 165.87 MOL3O ATOM 11424 CG2 THR H 144 −9.750 −51.250 29.533 1.00 164.82 MOL3 C ATOM11425 C THR H 144 −10.412 −48.956 27.575 1.00 160.51 MOL3 C ATOM 11426 OTHR H 144 −10.699 −48.883 26.377 1.00 157.79 MOL3 O ATOM 11427 N ASN H145 −9.266 −48.505 28.078 1.00 157.51 MOL3 N ATOM 11428 CA ASN H 145−8.235 −47.872 27.258 1.00 149.48 MOL3 C ATOM 11429 CB ASN H 145 −7.789−48.795 26.115 1.00 149.22 MOL3 C ATOM 11430 CG ASN H 145 −6.623 −48.22225.324 1.00 147.20 MOL3 C ATOM 11431 OD1 ASN H 145 −5.591 −47.849 25.8891.00 147.24 MOL3 O ATOM 11432 ND2 ASN H 145 −6.781 −48.153 24.010 1.00145.12 MOL3 N ATOM 11433 C ASN H 145 −8.715 −46.538 26.693 1.00 141.72MOL3 C ATOM 11434 O ASN H 145 −9.906 −46.215 26.720 1.00 138.02 MOL3 OATOM 11435 N SER H 146 −7.766 −45.771 26.178 1.00 133.95 MOL3 N ATOM11436 CA SER H 146 −8.045 −44.461 25.629 1.00 128.86 MOL3 C ATOM 11437CB SER H 146 −6.769 −43.621 25.683 1.00 132.13 MOL3 C ATOM 11438 OG SERH 146 −6.175 −43.688 26.971 1.00 137.19 MOL3 O ATOM 11439 C SER H 146−8.582 −44.487 24.198 1.00 124.22 MOL3 C ATOM 11440 O SER H 146 −9.107−43.486 23.714 1.00 124.12 MOL3 O ATOM 11441 N MET H 147 −8.456 −45.62323.520 1.00 117.70 MOL3 N ATOM 11442 CA MET H 147 −8.920 −45.725 22.1371.00 107.72 MOL3 C ATOM 11443 CB MET H 147 −7.779 −46.181 21.230 1.00108.51 MOL3 C ATOM 11444 CG MET H 147 −6.639 −45.192 21.135 1.00 114.40MOL3 C ATOM 11445 SD MET H 147 −7.112 −43.663 20.310 1.00 121.49 MOL3 SATOM 11446 CE MET H 147 −5.898 −43.614 18.963 1.00 119.67 MOL3 C ATOM11447 C MET H 147 −10.103 −46.650 21.926 1.00 102.40 MOL3 C ATOM 11448 OMET H 147 −10.288 −47.627 22.645 1.00 103.99 MOL3 O ATOM 11449 N VAL H148 −10.895 −46.335 20.910 1.00 97.82 MOL3 N ATOM 11450 CA VAL H 148−12.077 −47.113 20.555 1.00 92.16 MOL3 C ATOM 11451 CB VAL H 148 −13.377−46.307 20.788 1.00 86.31 MOL3 C ATOM 11452 CG1 VAL H 148 −13.307−44.993 20.058 1.00 80.24 MOL3 C ATOM 11453 CG2 VAL H 148 −14.570−47.084 20.279 1.00 81.35 MOL3 C ATOM 11454 C VAL H 148 −12.029 −47.47019.075 1.00 90.39 MOL3 C ATOM 11455 O VAL H 148 −11.738 −46.616 18.2381.00 85.60 MOL3 O ATOM 11456 N THR H 149 −12.314 −48.725 18.749 1.0088.35 MOL3 N ATOM 11457 CA THR H 149 −12.312 −49.133 17.356 1.00 81.69MOL3 C ATOM 11458 CB THR H 149 −11.509 −50.407 17.126 1.00 83.07 MOL3 CATOM 11459 OG1 THR H 149 −10.128 −50.075 16.934 1.00 84.79 MOL3 O ATOM11460 CG2 THR H 149 −12.027 −51.128 15.903 1.00 82.03 MOL3 C ATOM 11461C THR H 149 −13.715 −49.371 16.858 1.00 77.72 MOL3 C ATOM 11462 O THR H149 −14.471 −50.136 17.453 1.00 78.65 MOL3 O ATOM 11463 N LEU H 150−14.050 −48.692 15.764 1.00 73.41 MOL3 N ATOM 11464 CA LEU H 150 −15.356−48.794 15.117 1.00 69.81 MOL3 C ATOM 11465 CB LEU H 150 −15.953 −47.41914.866 1.00 69.43 MOL3 C ATOM 11466 CG LEU H 150 −16.775 −46.808 15.9851.00 71.83 MOL3 C ATOM 11467 CD1 LEU H 150 −16.098 −47.048 17.320 1.0073.94 MOL3 C ATOM 11468 CD2 LEU H 150 −16.953 −45.330 15.697 1.00 73.90MOL3 C ATOM 11469 C LEU H 150 −15.176 −49.456 13.778 1.00 66.09 MOL3 CATOM 11470 O LEU H 150 −14.083 −49.450 13.220 1.00 63.47 MOL3 O ATOM11471 N GLY H 151 −16.259 −49.998 13.244 1.00 65.92 MOL3 N ATOM 11472 CAGLY H 151 −16.160 −50.668 11.968 1.00 70.49 MOL3 C ATOM 11473 C GLY H151 −17.302 −50.392 11.021 1.00 71.85 MOL3 C ATOM 11474 O GLY H 151−18.281 −49.731 11.361 1.00 73.68 MOL3 O ATOM 11475 N CYS H 152 −17.176−50.942 9.823 1.00 72.23 MOL3 N ATOM 11476 CA CYS H 152 −18.170 −50.7468.788 1.00 73.94 MOL3 C ATOM 11477 C CYS H 152 −18.171 −51.956 7.8411.00 67.77 MOL3 C ATOM 11478 O CYS H 152 −17.260 −52.119 7.043 1.0061.88 MOL3 O ATOM 11479 CB CYS H 152 −17.806 −49.464 8.042 1.00 77.20MOL3 C ATOM 11480 SG CYS H 152 −18.839 −49.053 6.611 1.00 89.22 MOL3 SATOM 11481 N LEU H 153 −19.192 −52.802 7.933 1.00 64.17 MOL3 N ATOM11482 CA LEU H 153 −19.256 −53.985 7.085 1.00 62.43 MOL3 C ATOM 11483 CBLEU H 153 −19.968 −55.131 7.799 1.00 67.70 MOL3 C ATOM 11484 CG LEU H153 −20.023 −56.468 7.047 1.00 69.14 MOL3 C ATOM 11485 CD1 LEU H 153−18.611 −56.889 6.620 1.00 66.63 MOL3 C ATOM 11486 CD2 LEU H 153 −20.651−57.528 7.947 1.00 67.24 MOL3 C ATOM 11487 C LEU H 153 −19.989 −53.7065.803 1.00 61.32 MOL3 C ATOM 11488 O LEU H 153 −21.132 −53.258 5.8321.00 66.08 MOL3 O ATOM 11489 N VAL H 154 −19.325 −53.984 4.683 1.0056.07 MOL3 N ATOM 11490 CA VAL H 154 −19.893 −53.792 3.348 1.00 51.90MOL3 C ATOM 11491 CB VAL H 154 −18.903 −53.087 2.413 1.00 49.28 MOL3 CATOM 11492 CG1 VAL H 154 −19.519 −52.892 1.049 1.00 46.64 MOL3 C ATOM11493 CG2 VAL H 154 −18.506 −51.767 2.984 1.00 50.17 MOL3 C ATOM 11494 CVAL H 154 −20.160 −55.174 2.770 1.00 55.96 MOL3 C ATOM 11495 O VAL H 154−19.257 −55.819 2.240 1.00 54.62 MOL3 O ATOM 11496 N LYS H 155 −21.403−55.624 2.853 1.00 61.21 MOL3 N ATOM 11497 CA LYS H 155 −21.742 −56.9542.378 1.00 59.99 MOL3 C ATOM 11498 CB LYS H 155 −22.627 −57.658 3.4121.00 60.96 MOL3 C ATOM 11499 CG LYS H 155 −22.704 −59.164 3.253 1.0070.31 MOL3 C ATOM 11500 CD LYS H 155 −23.715 −59.782 4.205 1.00 75.62MOL3 C ATOM 11501 CE LYS H 155 −23.523 −61.286 4.285 1.00 78.29 MOL3 CATOM 11502 NZ LYS H 155 −22.140 −61.628 4.748 1.00 76.71 MOL3 N ATOM11503 C LYS H 155 −22.408 −57.020 1.012 1.00 60.38 MOL3 C ATOM 11504 OLYS H 155 −22.966 −56.040 0.508 1.00 53.20 MOL3 O ATOM 11505 N GLY H 156−22.309 −58.212 0.433 1.00 66.29 MOL3 N ATOM 11506 CA GLY H 156 −22.888−58.542 −0.855 1.00 70.93 MOL3 C ATOM 11507 C GLY H 156 −22.985 −57.510−1.963 1.00 73.35 MOL3 C ATOM 11508 O GLY H 156 −24.077 −57.019 −2.2701.00 77.12 MOL3 O ATOM 11509 N TYR H 157 −21.853 −57.187 −2.577 1.0070.56 MOL3 N ATOM 11510 CA TYR H 157 −21.847 −56.244 −3.687 1.00 66.66MOL3 C ATOM 11511 CB TYR H 157 −21.221 −54.916 −3.296 1.00 63.22 MOL3 CATOM 11512 CG TYR H 157 −19.734 −54.992 −3.142 1.00 60.83 MOL3 C ATOM11513 CD1 TYR H 157 −19.166 −55.498 −1.988 1.00 60.30 MOL3 C ATOM 11514CE1 TYR H 157 −17.799 −55.579 −1.846 1.00 57.35 MOL3 C ATOM 11515 CD2TYR H 157 −18.891 −54.571 −4.156 1.00 59.48 MOL3 C ATOM 11516 CE2 TYR H157 −17.522 −54.652 −4.019 1.00 56.34 MOL3 C ATOM 11517 CZ TYR H 157−16.989 −55.155 −2.862 1.00 51.94 MOL3 C ATOM 11518 OH TYR H 157 −15.638−55.227 −2.706 1.00 57.08 MOL3 O ATOM 11519 C TYR H 157 −21.035 −56.846−4.821 1.00 67.40 MOL3 C ATOM 11520 O TYR H 157 −20.214 −57.741 −4.6091.00 65.47 MOL3 O ATOM 11521 N PHE H 158 −21.265 −56.345 −6.028 1.0070.19 MOL3 N ATOM 11522 CA PHE H 158 −20.562 −56.839 −7.205 1.00 74.83MOL3 C ATOM 11523 CB PHE H 158 −21.124 −58.190 −7.631 1.00 71.48 MOL3 CATOM 11524 CG PHE H 158 −20.255 −58.940 −8.597 1.00 72.68 MOL3 C ATOM11525 CD1 PHE H 158 −19.269 −59.804 −8.138 1.00 74.53 MOL3 C ATOM 11526CD2 PHE H 158 −20.453 −58.823 −9.962 1.00 72.90 MOL3 C ATOM 11527 CE1PHE H 158 −18.500 −60.546 −9.024 1.00 73.17 MOL3 C ATOM 11528 CE2 PHE H158 −19.689 −59.559 −10.853 1.00 76.21 MOL3 C ATOM 11529 CZ PHE H 158−18.713 −60.423 −10.383 1.00 75.38 MOL3 C ATOM 11530 C PHE H 158 −20.733−55.855 −8.353 1.00 79.34 MOL3 C ATOM 11531 O PHE H 158 −21.811 −55.278−8.533 1.00 83.42 MOL3 O ATOM 11532 N PRO H 159 −19.658 −55.637 −9.1341.00 79.37 MOL3 N ATOM 11533 CD PRO H 159 −19.671 −55.048 −10.487 1.0075.33 MOL3 C ATOM 11534 CA PRO H 159 −18.378 −56.304 −8.897 1.00 77.27MOL3 C ATOM 11535 CB PRO H 159 −17.912 −56.619 −10.301 1.00 70.82 MOL3 CATOM 11536 CG PRO H 159 −18.262 −55.354 −10.999 1.00 71.69 MOL3 C ATOM11537 C PRO H 159 −17.418 −55.350 −8.203 1.00 77.61 MOL3 C ATOM 11538 OPRO H 159 −17.813 −54.276 −7.742 1.00 76.98 MOL3 O ATOM 11539 N GLU H160 −16.154 −55.747 −8.129 1.00 76.69 MOL3 N ATOM 11540 CA GLU H 160−15.153 −54.899 −7.523 1.00 79.57 MOL3 C ATOM 11541 CB GLU H 160 −13.816−55.640 −7.470 1.00 75.33 MOL3 C ATOM 11542 CG GLU H 160 −13.705 −56.694−6.357 1.00 80.58 MOL3 C ATOM 11543 CD GLU H 160 −13.011 −56.177 −5.0781.00 90.70 MOL3 C ATOM 11544 OE1 GLU H 160 −13.417 −55.118 −4.537 1.0089.63 MOL3 O ATOM 11545 OE2 GLU H 160 −12.055 −56.841 −4.607 1.00 90.40MOL3 O ATOM 11546 C GLU H 160 −15.065 −53.677 −8.433 1.00 83.98 MOL3 CATOM 11547 O GLU H 160 −15.395 −53.757 −9.614 1.00 91.30 MOL3 O ATOM11548 N PRO H 161 −14.652 −52.524 −7.893 1.00 84.34 MOL3 N ATOM 11549 CDPRO H 161 −13.856 −51.590 −8.710 1.00 81.86 MOL3 C ATOM 11550 CA PRO H161 −14.292 −52.377 −6.487 1.00 84.58 MOL3 C ATOM 11551 CB PRO H 161−12.863 −51.880 −6.568 1.00 82.05 MOL3 C ATOM 11552 CG PRO H 161 −12.966−50.900 −7.671 1.00 80.99 MOL3 C ATOM 11553 C PRO H 161 −15.195 −51.383−5.774 1.00 85.92 MOL3 C ATOM 11554 O PRO H 161 −15.965 −50.641 −6.3981.00 89.34 MOL3 O ATOM 11555 N VAL H 162 −15.090 −51.382 −4.455 1.0082.39 MOL3 N ATOM 11556 CA VAL H 162 −15.858 −50.475 −3.642 1.00 78.67MOL3 C ATOM 11557 CB VAL H 162 −16.607 −51.238 −2.558 1.00 74.90 MOL3 CATOM 11558 CG1 VAL H 162 −15.645 −52.113 −1.794 1.00 72.98 MOL3 C ATOM11559 CG2 VAL H 162 −17.295 −50.272 −1.636 1.00 79.19 MOL3 C ATOM 11560C VAL H 162 −14.808 −49.579 −3.017 1.00 77.99 MOL3 C ATOM 11561 O VAL H162 −13.655 −49.979 −2.863 1.00 72.49 MOL3 O ATOM 11562 N THR H 163−15.178 −48.354 −2.693 1.00 80.25 MOL3 N ATOM 11563 CA THR H 163 −14.214−47.474 −2.070 1.00 82.23 MOL3 C ATOM 11564 CB THR H 163 −13.816 −46.332−3.017 1.00 86.16 MOL3 C ATOM 11565 OG1 THR H 163 −12.847 −46.830 −3.9541.00 77.67 MOL3 O ATOM 11566 CG2 THR H 163 −13.230 −45.153 −2.240 1.0089.23 MOL3 C ATOM 11567 C THR H 163 −14.761 −46.976 −0.743 1.00 83.40MOL3 C ATOM 11568 O THR H 163 −15.849 −46.384 −0.658 1.00 86.29 MOL3 OATOM 11569 N VAL H 164 −13.993 −47.261 0.300 1.00 78.21 MOL3 N ATOM11570 CA VAL H 164 −14.364 −46.918 1.657 1.00 80.05 MOL3 C ATOM 11571 CBVAL H 164 −14.114 −48.113 2.575 1.00 78.14 MOL3 C ATOM 11572 CG1 VAL H164 −14.808 −47.911 3.914 1.00 76.92 MOL3 C ATOM 11573 CG2 VAL H 164−14.579 −49.374 1.892 1.00 77.40 MOL3 C ATOM 11574 C VAL H 164 −13.541−45.762 2.169 1.00 82.24 MOL3 C ATOM 11575 O VAL H 164 −12.367 −45.6411.834 1.00 83.12 MOL3 O ATOM 11576 N THR H 165 −14.149 −44.940 3.0171.00 82.62 MOL3 N ATOM 11577 CA THR H 165 −13.470 −43.786 3.566 1.0079.38 MOL3 C ATOM 11578 CB THR H 165 −13.472 −42.684 2.518 1.00 76.55MOL3 C ATOM 11579 OG1 THR H 165 −12.133 −42.467 2.063 1.00 74.39 MOL3 OATOM 11580 CG2 THR H 165 −14.068 −41.420 3.067 1.00 80.32 MOL3 C ATOM11581 C THR H 165 −14.174 −43.334 4.835 1.00 82.23 MOL3 C ATOM 11582 OTHR H 165 −15.369 −43.590 5.006 1.00 92.20 MOL3 O ATOM 11583 N TRP H 166−13.446 −42.676 5.730 1.00 78.45 MOL3 N ATOM 11584 CA TRP H 166 −14.053−42.227 6.974 1.00 83.57 MOL3 C ATOM 11585 CB TRP H 166 −13.297 −42.8358.154 1.00 75.83 MOL3 C ATOM 11586 CG TRP H 166 −13.359 −44.331 8.1781.00 61.73 MOL3 C ATOM 11587 CD2 TRP H 166 −14.374 −45.129 8.786 1.0053.21 MOL3 C ATOM 11588 CE2 TRP H 166 −14.078 −46.473 8.497 1.00 50.56MOL3 C ATOM 11589 CE3 TRP H 166 −15.509 −44.835 9.540 1.00 57.81 MOL3 CATOM 11590 CD1 TRP H 166 −12.507 −45.196 7.565 1.00 56.26 MOL3 C ATOM11591 NE1 TRP H 166 −12.933 −46.489 7.750 1.00 49.49 MOL3 N ATOM 11592CZ2 TRP H 166 −14.871 −47.524 8.936 1.00 62.55 MOL3 C ATOM 11593 CZ3 TRPH 166 −16.303 −45.881 9.977 1.00 67.42 MOL3 C ATOM 11594 CH2 TRP H 166−15.981 −47.211 9.674 1.00 69.04 MOL3 C ATOM 11595 C TRP H 166 −14.110−40.707 7.103 1.00 90.73 MOL3 C ATOM 11596 O TRP H 166 −13.101 −40.0246.953 1.00 90.08 MOL3 O ATOM 11597 N ASN H 167 −15.299 −40.182 7.3871.00 100.29 MOL3 N ATOM 11598 CA ASN H 167 −15.482 −38.739 7.523 1.00103.08 MOL3 C ATOM 11599 CB ASN H 167 −14.688 −38.216 8.717 1.00 104.70MOL3 C ATOM 11600 CG ASN H 167 −15.454 −38.331 10.018 1.00 110.34 MOL3 CATOM 11601 OD1 ASN H 167 −16.057 −39.366 10.309 1.00 114.18 MOL3 O ATOM11602 ND2 ASN H 167 −15.431 −37.266 10.815 1.00 114.51 MOL3 N ATOM 11603C ASN H 167 −15.037 −38.025 6.261 1.00 101.78 MOL3 C ATOM 11604 O ASN H167 −14.484 −36.930 6.315 1.00 99.40 MOL3 O ATOM 11605 N SER H 168−15.267 −38.678 5.130 1.00 102.77 MOL3 N ATOM 11606 CA SER H 168 −14.933−38.133 3.828 1.00 105.60 MOL3 C ATOM 11607 CB SER H 168 −15.753 −36.8653.595 1.00 108.93 MOL3 C ATOM 11608 OG SER H 168 −17.060 −37.011 4.1301.00 112.36 MOL3 O ATOM 11609 C SER H 168 −13.448 −37.825 3.656 1.00105.78 MOL3 C ATOM 11610 O SER H 168 −13.057 −37.168 2.695 1.00 107.78MOL3 O ATOM 11611 N GLY H 169 −12.621 −38.293 4.582 1.00 105.25 MOL3 NATOM 11612 CA GLY H 169 −11.197 −38.041 4.468 1.00 104.83 MOL3 C ATOM11613 C GLY H 169 −10.615 −37.471 5.740 1.00 106.28 MOL3 C ATOM 11614 OGLY H 169 −9.393 −37.402 5.897 1.00 103.08 MOL3 O ATOM 11615 N SER H 170−11.495 −37.060 6.650 1.00 107.77 MOL3 N ATOM 11616 CA SER H 170 −11.064−36.497 7.924 1.00 111.76 MOL3 C ATOM 11617 CB SER H 170 −12.291 −36.1118.768 1.00 114.37 MOL3 C ATOM 11618 OG SER H 170 −11.929 −35.539 10.0201.00 113.88 MOL3 O ATOM 11619 C SER H 170 −10.186 −37.510 8.676 1.00112.11 MOL3 C ATOM 11620 O SER H 170 −9.178 −37.145 9.287 1.00 113.84MOL3 O ATOM 11621 N LEU H 171 −10.565 −38.783 8.618 1.00 108.77 MOL3 NATOM 11622 CA LEU H 171 −9.811 −39.833 9.289 1.00 103.21 MOL3 C ATOM11623 CB LEU H 171 −10.746 −40.733 10.098 1.00 100.76 MOL3 C ATOM 11624CG LEU H 171 −11.514 −40.137 11.281 1.00 97.25 MOL3 C ATOM 11625 CD1 LEUH 171 −12.388 −38.985 10.826 1.00 95.97 MOL3 C ATOM 11626 CD2 LEU H 171−12.369 −41.218 11.909 1.00 94.50 MOL3 C ATOM 11627 C LEU H 171 −9.070−40.670 8.262 1.00 102.49 MOL3 C ATOM 11628 O LEU H 171 −9.686 −41.3907.478 1.00 103.13 MOL3 O ATOM 11629 N SER H 172 −7.747 −40.573 8.2691.00 103.04 MOL3 N ATOM 11630 CA SER H 172 −6.919 −41.320 7.327 1.00104.87 MOL3 C ATOM 11631 CB SER H 172 −6.076 −40.361 6.487 1.00 106.36MOL3 C ATOM 11632 OG SER H 172 −5.095 −39.713 7.284 1.00 107.12 MOL3 OATOM 11633 C SER H 172 −5.986 −42.257 8.068 1.00 105.79 MOL3 C ATOM11634 O SER H 172 −5.656 −43.336 7.581 1.00 106.18 MOL3 O ATOM 11635 NSER H 173 −5.556 −41.822 9.247 1.00 107.31 MOL3 N ATOM 11636 CA SER H173 −4.646 −42.595 10.081 1.00 104.81 MOL3 C ATOM 11637 CB SER H 173−3.729 −41.646 10.866 1.00 105.83 MOL3 C ATOM 11638 OG SER H 173 −4.461−40.605 11.499 1.00 98.57 MOL3 O ATOM 11639 C SER H 173 −5.407 −43.49511.038 1.00 102.90 MOL3 C ATOM 11640 O SER H 173 −6.477 −43.128 11.5251.00 104.60 MOL3 O ATOM 11641 N GLY H 174 −4.853 −44.674 11.303 1.0098.71 MOL3 N ATOM 11642 CA GLY H 174 −5.500 −45.602 12.214 1.00 97.65MOL3 C ATOM 11643 C GLY H 174 −6.699 −46.262 11.569 1.00 94.80 MOL3 CATOM 11644 O GLY H 174 −7.621 −46.721 12.247 1.00 95.87 MOL3 O ATOM11645 N VAL H 175 −6.674 −46.311 10.243 1.00 90.26 MOL3 N ATOM 11646 CAVAL H 175 −7.754 −46.900 9.461 1.00 85.11 MOL3 C ATOM 11647 CB VAL H 175−8.243 −45.928 8.358 1.00 82.39 MOL3 C ATOM 11648 CG1 VAL H 175 −9.044−46.689 7.310 1.00 76.61 MOL3 C ATOM 11649 CG2 VAL H 175 −9.077 −44.8138.971 1.00 80.37 MOL3 C ATOM 11650 C VAL H 175 −7.284 −48.159 8.762 1.0081.26 MOL3 C ATOM 11651 O VAL H 175 −6.206 −48.173 8.173 1.00 83.63 MOL3O ATOM 11652 N HIS H 176 −8.094 −49.210 8.821 1.00 76.09 MOL3 N ATOM11653 CA HIS H 176 −7.762 −50.467 8.158 1.00 68.75 MOL3 C ATOM 11654 CBHIS H 176 −7.401 −51.553 9.173 1.00 71.27 MOL3 C ATOM 11655 CG HIS H 176−5.962 −51.564 9.588 1.00 71.42 MOL3 C ATOM 11656 CD2 HIS H 176 −5.390−51.538 10.816 1.00 67.95 MOL3 C ATOM 11657 ND1 HIS H 176 −4.927 −51.6888.685 1.00 74.70 MOL3 N ATOM 11658 CE1 HIS H 176 −3.780 −51.743 9.3411.00 77.04 MOL3 C ATOM 11659 NE2 HIS H 176 −4.034 −51.656 10.635 1.0069.41 MOL3 N ATOM 11660 C HIS H 176 −8.952 −50.951 7.351 1.00 64.01 MOL3C ATOM 11661 O HIS H 176 −9.948 −51.410 7.910 1.00 65.62 MOL3 O ATOM11662 N THR H 177 −8.872 −50.825 6.038 1.00 56.48 MOL3 N ATOM 11663 CATHR H 177 −9.958 −51.311 5.211 1.00 52.80 MOL3 C ATOM 11664 CB THR H 177−10.441 −50.265 4.177 1.00 52.89 MOL3 C ATOM 11665 OG1 THR H 177 −10.646−50.920 2.923 1.00 55.66 MOL3 O ATOM 11666 CG2 THR H 177 −9.444 −49.1104.027 1.00 56.20 MOL3 C ATOM 11667 C THR H 177 −9.420 −52.564 4.539 1.0047.84 MOL3 C ATOM 11668 O THR H 177 −8.528 −52.516 3.704 1.00 44.37 MOL3O ATOM 11669 N PHE H 178 −9.966 −53.700 4.942 1.00 49.87 MOL3 N ATOM11670 CA PHE H 178 −9.516 −54.994 4.453 1.00 50.15 MOL3 C ATOM 11671 CBPHE H 178 −9.950 −56.083 5.425 1.00 51.36 MOL3 C ATOM 11672 CG PHE H 178−9.513 −55.833 6.833 1.00 50.93 MOL3 C ATOM 11673 CD1 PHE H 178 −8.462−56.540 7.381 1.00 50.19 MOL3 C ATOM 11674 CD2 PHE H 178 −10.120 −54.8497.591 1.00 49.49 MOL3 C ATOM 11675 CE1 PHE H 178 −8.022 −56.270 8.6521.00 49.58 MOL3 C ATOM 11676 CE2 PHE H 178 −9.683 −54.574 8.861 1.0051.26 MOL3 C ATOM 11677 CZ PHE H 178 −8.631 −55.285 9.393 1.00 52.32MOL3 C ATOM 11678 C PHE H 178 −9.953 −55.375 3.061 1.00 54.56 MOL3 CATOM 11679 O PHE H 178 −10.897 −54.821 2.505 1.00 64.25 MOL3 O ATOM11680 N PRO H 179 −9.251 −56.342 2.472 1.00 55.68 MOL3 N ATOM 11681 CDPRO H 179 −8.011 −56.902 3.031 1.00 57.16 MOL3 C ATOM 11682 CA PRO H 179−9.494 −56.872 1.132 1.00 58.45 MOL3 C ATOM 11683 CB PRO H 179 −8.380−57.903 0.959 1.00 53.58 MOL3 C ATOM 11684 CG PRO H 179 −7.286 −57.3621.781 1.00 55.46 MOL3 C ATOM 11685 C PRO H 179 −10.851 −57.535 1.0431.00 63.31 MOL3 C ATOM 11686 O PRO H 179 −11.238 −58.285 1.935 1.0060.56 MOL3 O ATOM 11687 N ALA H 180 −11.572 −57.269 −0.038 1.00 70.63MOL3 N ATOM 11688 CA ALA H 180 −12.874 −57.889 −0.222 1.00 71.32 MOL3 CATOM 11689 CB ALA H 180 −13.559 −57.322 −1.456 1.00 74.52 MOL3 C ATOM11690 C ALA H 180 −12.656 −59.387 −0.386 1.00 67.08 MOL3 C ATOM 11691 OALA H 180 −11.623 −59.827 −0.881 1.00 62.03 MOL3 O ATOM 11692 N VAL H181 −13.634 −60.166 0.039 1.00 67.73 MOL3 N ATOM 11693 CA VAL H 181−13.546 −61.607 −0.064 1.00 71.50 MOL3 C ATOM 11694 CB VAL H 181 −13.481−62.232 1.311 1.00 67.32 MOL3 C ATOM 11695 CG1 VAL H 181 −14.678 −61.7992.120 1.00 70.09 MOL3 C ATOM 11696 CG2 VAL H 181 −13.442 −63.728 1.1831.00 73.32 MOL3 C ATOM 11697 C VAL H 181 −14.793 −62.109 −0.772 1.0075.39 MOL3 C ATOM 11698 O VAL H 181 −15.853 −61.510 −0.652 1.00 74.98MOL3 O ATOM 11699 N LEU H 182 −14.673 −63.210 −1.506 1.00 84.53 MOL3 NATOM 11700 CA LEU H 182 −15.817 −63.741 −2.239 1.00 93.08 MOL3 C ATOM11701 CB LEU H 182 −15.357 −64.531 −3.459 1.00 95.26 MOL3 C ATOM 11702CG LEU H 182 −16.452 −64.746 −4.503 1.00 94.65 MOL3 C ATOM 11703 CD1 LEUH 182 −16.926 −63.403 −5.030 1.00 87.89 MOL3 C ATOM 11704 CD2 LEU H 182−15.907 −65.600 −5.638 1.00 99.72 MOL3 C ATOM 11705 C LEU H 182 −16.718−64.621 −1.394 1.00 98.95 MOL3 C ATOM 11706 O LEU H 182 −16.340 −65.727−1.011 1.00 100.71 MOL3 O ATOM 11707 N GLN H 183 −17.919 −64.120 −1.1191.00 104.61 MOL3 N ATOM 11708 CA GLN H 183 −18.902 −64.845 −0.323 1.00109.98 MOL3 C ATOM 11709 CB GLN H 183 −19.488 −63.922 0.745 1.00 115.13MOL3 C ATOM 11710 CG GLN H 183 −20.405 −64.612 1.739 1.00 123.91 MOL3 CATOM 11711 CD GLN H 183 −20.898 −63.669 2.828 1.00 127.70 MOL3 C ATOM11712 OE1 GLN H 183 −20.125 −63.205 3.670 1.00 127.00 MOL3 O ATOM 11713NE2 GLN H 183 −22.193 −63.378 2.810 1.00 131.46 MOL3 N ATOM 11714 C GLNH 183 −20.009 −65.357 −1.239 1.00 111.46 MOL3 C ATOM 11715 O GLN H 183−21.092 −64.765 −1.333 1.00 107.91 MOL3 O ATOM 11716 N SER H 184 −19.718−66.463 −1.916 1.00 113.64 MOL3 N ATOM 11717 CA SER H 184 −20.659−67.076 −2.843 1.00 112.70 MOL3 C ATOM 11718 CB SER H 184 −21.845−67.672 −2.082 1.00 119.48 MOL3 C ATOM 11719 OG SER H 184 −21.434−68.782 −1.297 1.00 125.71 MOL3 O ATOM 11720 C SER H 184 −21.151 −66.077−3.880 1.00 107.75 MOL3 C ATOM 11721 O SER H 184 −22.170 −65.407 −3.6941.00 99.42 MOL3 O ATOM 11722 N ASP H 185 −20.393 −65.974 −4.964 1.00106.74 MOL3 N ATOM 11723 CA ASP H 185 −20.723 −65.089 −6.068 1.00 104.66MOL3 C ATOM 11724 CB ASP H 185 −21.941 −65.628 −6.812 1.00 113.67 MOL3 CATOM 11725 CG ASP H 185 −21.725 −67.025 −7.340 1.00 121.58 MOL3 C ATOM11726 OD1 ASP H 185 −20.920 −67.186 −8.287 1.00 122.38 MOL3 O ATOM 11727OD2 ASP H 185 −22.361 −67.958 −6.798 1.00 126.77 MOL3 O ATOM 11728 C ASPH 185 −21.015 −63.662 −5.650 1.00 99.48 MOL3 C ATOM 11729 O ASP H 185−21.866 −63.016 −6.251 1.00 97.47 MOL3 O ATOM 11730 N LEU H 186 −20.336−63.175 −4.618 1.00 93.59 MOL3 N ATOM 11731 CA LEU H 186 −20.533 −61.802−4.168 1.00 84.79 MOL3 C ATOM 11732 CB LEU H 186 −21.903 −61.626 −3.5101.00 82.33 MOL3 C ATOM 11733 CG LEU H 186 −22.955 −61.244 −4.557 1.0077.08 MOL3 C ATOM 11734 CD1 LEU H 186 −24.166 −60.555 −3.938 1.00 73.45MOL3 C ATOM 11735 CD2 LEU H 186 −22.288 −60.319 −5.540 1.00 73.17 MOL3 CATOM 11736 C LEU H 186 −19.431 −61.343 −3.234 1.00 81.42 MOL3 C ATOM11737 O LEU H 186 −18.911 −62.124 −2.435 1.00 78.72 MOL3 O ATOM 11738 NTYR H 187 −19.073 −60.069 −3.347 1.00 76.82 MOL3 N ATOM 11739 CA TYR H187 −18.006 −59.521 −2.531 1.00 75.32 MOL3 C ATOM 11740 CB TYR H 187−17.208 −58.501 −3.338 1.00 74.97 MOL3 C ATOM 11741 CG TYR H 187 −16.436−59.113 −4.485 1.00 80.55 MOL3 C ATOM 11742 CD1 TYR H 187 −15.559−60.170 −4.278 1.00 81.09 MOL3 C ATOM 11743 CE1 TYR H 187 −14.826−60.716 −5.334 1.00 83.98 MOL3 C ATOM 11744 CD2 TYR H 187 −16.564−58.617 −5.773 1.00 88.64 MOL3 C ATOM 11745 CE2 TYR H 187 −15.833−59.154 −6.834 1.00 90.45 MOL3 C ATOM 11746 CZ TYR H 187 −14.967 −60.199−6.608 1.00 86.86 MOL3 C ATOM 11747 OH TYR H 187 −14.239 −60.705 −7.6631.00 83.28 MOL3 O ATOM 11748 C TYR H 187 −18.456 −58.910 −1.213 1.0072.95 MOL3 C ATOM 11749 O TYR H 187 −19.469 −58.219 −1.139 1.00 73.00MOL3 O ATOM 11750 N THR H 188 −17.687 −59.190 −0.170 1.00 70.13 MOL3 NATOM 11751 CA THR H 188 −17.957 −58.678 1.159 1.00 69.86 MOL3 C ATOM11752 CB THR H 188 −18.489 −59.749 2.095 1.00 71.98 MOL3 C ATOM 11753OG1 THR H 188 −19.758 −60.210 1.626 1.00 81.84 MOL3 O ATOM 11754 CG2 THRH 188 −18.627 −59.190 3.500 1.00 71.01 MOL3 C ATOM 11755 C THR H 188−16.653 −58.216 1.755 1.00 71.41 MOL3 C ATOM 11756 O THR H 188 −15.665−58.946 1.742 1.00 72.76 MOL3 O ATOM 11757 N LEU H 189 −16.637 −56.9992.274 1.00 72.91 MOL3 N ATOM 11758 CA LEU H 189 −15.428 −56.497 2.9011.00 69.76 MOL3 C ATOM 11759 CB LEU H 189 −14.557 −55.728 1.897 1.0071.14 MOL3 C ATOM 11760 CG LEU H 189 −14.614 −54.206 1.799 1.00 70.24MOL3 C ATOM 11761 CD1 LEU H 189 −13.453 −53.742 0.963 1.00 68.48 MOL3 CATOM 11762 CD2 LEU H 189 −15.911 −53.755 1.185 1.00 73.49 MOL3 C ATOM11763 C LEU H 189 −15.781 −55.637 4.106 1.00 65.92 MOL3 C ATOM 11764 OLEU H 189 −16.892 −55.114 4.230 1.00 62.95 MOL3 O ATOM 11765 N SER H 190−14.825 −55.522 5.009 1.00 64.50 MOL3 N ATOM 11766 CA SER H 190 −15.016−54.763 6.223 1.00 65.87 MOL3 C ATOM 11767 CB SER H 190 −14.978 −55.7287.401 1.00 67.18 MOL3 C ATOM 11768 OG SER H 190 −14.049 −56.766 7.1391.00 69.18 MOL3 O ATOM 11769 C SER H 190 −13.930 −53.706 6.364 1.0063.60 MOL3 C ATOM 11770 O SER H 190 −12.930 −53.740 5.658 1.00 59.51MOL3 O ATOM 11771 N SER H 191 −14.138 −52.746 7.255 1.00 62.63 MOL3 NATOM 11772 CA SER H 191 −13.134 −51.720 7.478 1.00 61.36 MOL3 C ATOM11773 CB SER H 191 −13.231 −50.600 6.447 1.00 60.89 MOL3 C ATOM 11774 OGSER H 191 −12.151 −49.692 6.610 1.00 57.18 MOL3 O ATOM 11775 C SER H 191−13.259 −51.145 8.868 1.00 63.38 MOL3 C ATOM 11776 O SER H 191 −14.319−50.661 9.269 1.00 66.85 MOL3 O ATOM 11777 N SER H 192 −12.157 −51.2149.601 1.00 62.58 MOL3 N ATOM 11778 CA SER H 192 −12.105 −50.725 10.9661.00 65.54 MOL3 C ATOM 11779 CB SER H 192 −11.263 −51.656 11.839 1.0067.43 MOL3 C ATOM 11780 OG SER H 192 −9.880 −51.322 11.768 1.00 65.40MOL3 O ATOM 11781 C SER H 192 −11.463 −49.358 11.011 1.00 66.13 MOL3 CATOM 11782 O SER H 192 −10.750 −48.959 10.093 1.00 61.68 MOL3 O ATOM11783 N VAL H 193 −11.711 −48.654 12.105 1.00 66.29 MOL3 N ATOM 11784 CAVAL H 193 −11.132 −47.347 12.308 1.00 66.18 MOL3 C ATOM 11785 CB VAL H193 −11.976 −46.253 11.634 1.00 59.00 MOL3 C ATOM 11786 CG1 VAL H 193−13.341 −46.189 12.248 1.00 58.84 MOL3 C ATOM 11787 CG2 VAL H 193−11.275 −44.930 11.743 1.00 56.17 MOL3 C ATOM 11788 C VAL H 193 −11.028−47.118 13.807 1.00 71.49 MOL3 C ATOM 11789 O VAL H 193 −12.014 −47.23414.537 1.00 74.28 MOL3 O ATOM 11790 N THR H 194 −9.815 −46.834 14.2661.00 75.90 MOL3 N ATOM 11791 CA THR H 194 −9.570 −46.597 15.676 1.0081.76 MOL3 C ATOM 11792 CB THR H 194 −8.189 −47.107 16.078 1.00 85.55MOL3 C ATOM 11793 OG1 THR H 194 −7.636 −47.885 15.008 1.00 91.67 MOL3 OATOM 11794 CG2 THR H 194 −8.297 −47.973 17.321 1.00 90.42 MOL3 C ATOM11795 C THR H 194 −9.648 −45.105 15.964 1.00 84.06 MOL3 C ATOM 11796 OTHR H 194 −9.429 −44.275 15.082 1.00 83.35 MOL3 O ATOM 11797 N VAL H 195−9.963 −44.761 17.203 1.00 85.63 MOL3 N ATOM 11798 CA VAL H 195 −10.060−43.365 17.554 1.00 85.95 MOL3 C ATOM 11799 CB VAL H 195 −11.229 −42.72216.805 1.00 85.68 MOL3 C ATOM 11800 CG1 VAL H 195 −12.201 −42.093 17.7781.00 93.53 MOL3 C ATOM 11801 CG2 VAL H 195 −10.685 −41.702 15.817 1.0084.12 MOL3 C ATOM 11802 C VAL H 195 −10.181 −43.173 19.059 1.00 86.70MOL3 C ATOM 11803 O VAL H 195 −10.650 −44.052 19.778 1.00 89.05 MOL3 OATOM 11804 N PRO H 196 −9.711 −42.028 19.556 1.00 85.09 MOL3 N ATOM11805 CD PRO H 196 −8.914 −41.053 18.792 1.00 81.74 MOL3 C ATOM 11806 CAPRO H 196 −9.741 −41.684 20.975 1.00 87.98 MOL3 C ATOM 11807 CB PRO H196 −9.153 −40.283 20.979 1.00 89.01 MOL3 C ATOM 11808 CG PRO H 196−8.128 −40.370 19.868 1.00 81.01 MOL3 C ATOM 11809 C PRO H 196 −11.137−41.754 21.589 1.00 91.71 MOL3 C ATOM 11810 O PRO H 196 −12.067 −41.13421.090 1.00 87.25 MOL3 O ATOM 11811 N SER H 197 −11.272 −42.510 22.6771.00 99.52 MOL3 N ATOM 11812 CA SER H 197 −12.560 −42.673 23.347 1.00105.85 MOL3 C ATOM 11813 CB SER H 197 −12.399 −43.573 24.583 1.00 109.81MOL3 C ATOM 11814 OG SER H 197 −11.381 −43.105 25.455 1.00 115.70 MOL3 OATOM 11815 C SER H 197 −13.215 −41.343 23.727 1.00 107.60 MOL3 C ATOM11816 O SER H 197 −14.435 −41.260 23.879 1.00 106.99 MOL3 O ATOM 11817 NSER H 198 −12.400 −40.303 23.866 1.00 110.77 MOL3 N ATOM 11818 CA SER H198 −12.899 −38.978 24.212 1.00 114.47 MOL3 C ATOM 11819 CB SER H 198−11.738 −38.098 24.702 1.00 116.99 MOL3 C ATOM 11820 OG SER H 198−10.649 −38.104 23.787 1.00 113.97 MOL3 O ATOM 11821 C SER H 198 −13.602−38.310 23.024 1.00 115.10 MOL3 C ATOM 11822 O SER H 198 −14.495 −37.47823.210 1.00 115.84 MOL3 O ATOM 11823 N THR H 199 −13.202 −38.678 21.8071.00 114.41 MOL3 N ATOM 11824 CA THR H 199 −13.794 −38.105 20.596 1.00111.03 MOL3 C ATOM 11825 CB THR H 199 −12.701 −37.820 19.509 1.00 111.21MOL3 C ATOM 11826 OG1 THR H 199 −11.808 −38.936 19.401 1.00 109.25 MOL3O ATOM 11827 CG2 THR H 199 −11.899 −36.573 19.869 1.00 108.67 MOL3 CATOM 11828 C THR H 199 −14.911 −38.974 20.001 1.00 107.63 MOL3 C ATOM11829 O THR H 199 −15.168 −38.949 18.795 1.00 103.69 MOL3 O ATOM 11830 NTRP H 200 −15.588 −39.720 20.867 1.00 105.36 MOL3 N ATOM 11831 CA TRP H200 −16.668 −40.593 20.442 1.00 105.42 MOL3 C ATOM 11832 CB TRP H 200−16.075 −41.748 19.638 1.00 96.93 MOL3 C ATOM 11833 CG TRP H 200 −17.042−42.360 18.712 1.00 90.71 MOL3 C ATOM 11834 CD2 TRP H 200 −17.876−43.490 18.973 1.00 85.74 MOL3 C ATOM 11835 CE2 TRP H 200 −18.730−43.640 17.868 1.00 82.86 MOL3 C ATOM 11836 CE3 TRP H 200 −17.988−44.386 20.038 1.00 83.28 MOL3 C ATOM 11837 CD1 TRP H 200 −17.402−41.893 17.487 1.00 87.30 MOL3 C ATOM 11838 NE1 TRP H 200 −18.418−42.653 16.971 1.00 81.12 MOL3 N ATOM 11839 CZ2 TRP H 200 −19.688−44.647 17.798 1.00 81.11 MOL3 C ATOM 11840 CZ3 TRP H 200 −18.937−45.383 19.966 1.00 80.41 MOL3 C ATOM 11841 CH2 TRP H 200 −19.776−45.505 18.855 1.00 79.21 MOL3 C ATOM 11842 C TRP H 200 −17.400 −41.12521.679 1.00 112.10 MOL3 C ATOM 11843 O TRP H 200 −16.761 −41.549 22.6471.00 117.37 MOL3 O ATOM 11844 N PRO H 201 −18.747 −41.110 21.669 1.00115.94 MOL3 N ATOM 11845 CD PRO H 201 −19.546 −41.871 22.643 1.00 119.58MOL3 C ATOM 11846 CA PRO H 201 −19.605 −40.629 20.580 1.00 115.85 MOL3 CATOM 11847 CB PRO H 201 −20.974 −41.219 20.918 1.00 116.63 MOL3 C ATOM11848 CG PRO H 201 −20.650 −42.406 21.773 1.00 119.92 MOL3 C ATOM 11849C PRO H 201 −19.663 −39.110 20.489 1.00 118.24 MOL3 C ATOM 11850 O PRO H201 −20.463 −38.567 19.728 1.00 117.69 MOL3 O ATOM 11851 N SER H 202−18.823 −38.431 21.268 1.00 122.15 MOL3 N ATOM 11852 CA SER H 202−18.779 −36.967 21.272 1.00 123.53 MOL3 C ATOM 11853 CB SER H 202−17.489 −36.472 21.945 1.00 127.01 MOL3 C ATOM 11854 OG SER H 202−16.332 −36.884 21.238 1.00 131.60 MOL3 O ATOM 11855 C SER H 202 −18.886−36.409 19.852 1.00 121.08 MOL3 C ATOM 11856 O SER H 202 −19.941 −35.91419.456 1.00 117.79 MOL3 O ATOM 11857 N GLU H 203 −17.796 −36.485 19.0941.00 121.18 MOL3 N ATOM 11858 CA GLU H 203 −17.798 −36.009 17.718 1.00123.42 MOL3 C ATOM 11859 CB GLU H 203 −16.361 −35.814 17.220 1.00 122.49MOL3 C ATOM 11860 CG GLU H 203 −15.491 −34.967 18.151 1.00 124.92 MOL3 CATOM 11861 CD GLU H 203 −14.166 −34.537 17.521 1.00 127.78 MOL3 C ATOM11862 OE1 GLU H 203 −13.260 −34.104 18.272 1.00 127.29 MOL3 O ATOM 11863OE2 GLU H 203 −14.032 −34.618 16.279 1.00 125.44 MOL3 O ATOM 11864 C GLUH 203 −18.517 −37.078 16.893 1.00 124.67 MOL3 C ATOM 11865 O GLU H 203−19.105 −38.000 17.461 1.00 126.60 MOL3 O ATOM 11866 N THR H 204 −18.470−36.970 15.567 1.00 124.07 MOL3 N ATOM 11867 CA THR H 204 −19.149−37.940 14.706 1.00 120.80 MOL3 C ATOM 11868 CB THR H 204 −20.148−37.250 13.752 1.00 123.11 MOL3 C ATOM 11869 OG1 THR H 204 −19.461−36.838 12.560 1.00 121.90 MOL3 O ATOM 11870 CG2 THR H 204 −20.766−36.019 14.418 1.00 126.15 MOL3 C ATOM 11871 C THR H 204 −18.199 −38.74013.826 1.00 115.81 MOL3 C ATOM 11872 O THR H 204 −17.145 −38.251 13.4221.00 115.78 MOL3 O ATOM 11873 N VAL H 205 −18.589 −39.974 13.528 1.00109.46 MOL3 N ATOM 11874 CA VAL H 205 −17.804 −40.839 12.661 1.00 102.80MOL3 C ATOM 11875 CB VAL H 205 −17.070 −41.924 13.433 1.00 98.37 MOL3 CATOM 11876 CG1 VAL H 205 −16.167 −42.689 12.492 1.00 94.03 MOL3 C ATOM11877 CG2 VAL H 205 −16.271 −41.310 14.548 1.00 101.45 MOL3 C ATOM 11878C VAL H 205 −18.760 −41.507 11.691 1.00 103.28 MOL3 C ATOM 11879 O VAL H205 −19.759 −42.109 12.102 1.00 106.02 MOL3 O ATOM 11880 N THR H 206−18.461 −41.394 10.402 1.00 101.05 MOL3 N ATOM 11881 CA THR H 206−19.324 −41.978 9.385 1.00 98.75 MOL3 C ATOM 11882 CB THR H 206 −20.147−40.896 8.651 1.00 101.71 MOL3 C ATOM 11883 OG1 THR H 206 −20.732−39.998 9.601 1.00 104.93 MOL3 O ATOM 11884 CG2 THR H 206 −21.261−41.546 7.846 1.00 105.24 MOL3 C ATOM 11885 C THR H 206 −18.558 −42.7618.330 1.00 92.67 MOL3 C ATOM 11886 O THR H 206 −17.455 −42.401 7.9321.00 84.29 MOL3 O ATOM 11887 N CYS H 207 −19.166 −43.843 7.876 1.0090.17 MOL3 N ATOM 11888 CA CYS H 207 −18.561 −44.670 6.863 1.00 85.84MOL3 C ATOM 11889 C CYS H 207 −18.945 −44.075 5.523 1.00 87.41 MOL3 CATOM 11890 O CYS H 207 −20.063 −43.574 5.358 1.00 93.47 MOL3 O ATOM11891 CB CYS H 207 −19.093 −46.079 6.974 1.00 84.82 MOL3 C ATOM 11892 SGCYS H 207 −18.122 −47.253 6.011 1.00 91.88 MOL3 S ATOM 11893 N ASN H 208−18.022 −44.124 4.568 1.00 83.21 MOL3 N ATOM 11894 CA ASN H 208 −18.252−43.571 3.229 1.00 81.80 MOL3 C ATOM 11895 CB ASN H 208 −17.236 −42.4612.910 1.00 77.24 MOL3 C ATOM 11896 CG ASN H 208 −17.573 −41.133 3.5621.00 74.85 MOL3 C ATOM 11897 OD1 ASN H 208 −18.664 −40.600 3.388 1.0076.94 MOL3 O ATOM 11898 ND2 ASN H 208 −16.625 −40.585 4.303 1.00 69.62MOL3 N ATOM 11899 C ASN H 208 −18.094 −44.635 2.156 1.00 81.06 MOL3 CATOM 11900 O ASN H 208 −17.074 −44.667 1.474 1.00 78.69 MOL3 O ATOM11901 N VAL H 209 −19.087 −45.496 1.981 1.00 83.28 MOL3 N ATOM 11902 CAVAL H 209 −18.958 −46.533 0.966 1.00 80.87 MOL3 C ATOM 11903 CB VAL H209 −19.731 −47.810 1.351 1.00 85.63 MOL3 C ATOM 11904 CG1 VAL H 209−19.229 −48.983 0.524 1.00 79.18 MOL3 C ATOM 11905 CG2 VAL H 209 −19.563−48.093 2.842 1.00 82.07 MOL3 C ATOM 11906 C VAL H 209 −19.414 −46.036−0.395 1.00 78.89 MOL3 C ATOM 11907 O VAL H 209 −20.415 −45.318 −0.5181.00 81.76 MOL3 O ATOM 11908 N ALA H 210 −18.665 −46.428 −1.417 1.0075.82 MOL3 N ATOM 11909 CA ALA H 210 −18.940 −46.001 −2.784 1.00 81.55MOL3 C ATOM 11910 CB ALA H 210 −17.986 −44.886 −3.147 1.00 78.92 MOL3 CATOM 11911 C ALA H 210 −18.810 −47.121 −3.815 1.00 83.84 MOL3 C ATOM11912 O ALA H 210 −17.757 −47.752 −3.906 1.00 80.91 MOL3 O ATOM 11913 NHIS H 211 −19.862 −47.360 −4.601 1.00 86.08 MOL3 N ATOM 11914 CA HIS H211 −19.795 −48.397 −5.624 1.00 84.97 MOL3 C ATOM 11915 CB HIS H 211−20.796 −49.509 −5.405 1.00 80.26 MOL3 C ATOM 11916 CG HIS H 211 −20.470−50.742 −6.181 1.00 73.85 MOL3 C ATOM 11917 CD2 HIS H 211 −19.278−51.271 −6.540 1.00 72.72 MOL3 C ATOM 11918 ND1 HIS H 211 −21.428−51.632 −6.610 1.00 76.06 MOL3 N ATOM 11919 CE1 HIS H 211 −20.841−52.662 −7.193 1.00 70.05 MOL3 C ATOM 11920 NE2 HIS H 211 −19.536−52.468 −7.162 1.00 68.29 MOL3 N ATOM 11921 C HIS H 211 −20.037 −47.842−7.004 1.00 89.60 MOL3 C ATOM 11922 O HIS H 211 −21.178 −47.650 −7.4211.00 93.26 MOL3 O ATOM 11923 N PRO H 212 −18.951 −47.601 −7.746 1.0093.11 MOL3 N ATOM 11924 CD PRO H 212 −17.573 −47.920 −7.339 1.00 92.68MOL3 C ATOM 11925 CA PRO H 212 −18.967 −47.062 −9.107 1.00 91.18 MOL3 CATOM 11926 CB PRO H 212 −17.500 −47.090 −9.509 1.00 87.71 MOL3 C ATOM11927 CG PRO H 212 −16.782 −46.993 −8.207 1.00 89.67 MOL3 C ATOM 11928 CPRO H 212 −19.798 −47.904 −10.054 1.00 90.13 MOL3 C ATOM 11929 O PRO H212 −20.741 −47.424 −10.668 1.00 89.72 MOL3 O ATOM 11930 N ALA H 213−19.431 −49.169 −10.174 1.00 90.84 MOL3 N ATOM 11931 CA ALA H 213−20.136 −50.076 −11.062 1.00 92.12 MOL3 C ATOM 11932 CB ALA H 213−19.669 −51.499 −10.822 1.00 92.89 MOL3 C ATOM 11933 C ALA H 213 −21.655−49.994 −10.942 1.00 94.00 MOL3 C ATOM 11934 O ALA H 213 −22.368 −50.327−11.882 1.00 94.47 MOL3 O ATOM 11935 N SER H 214 −22.145 −49.544 −9.7911.00 95.58 MOL3 N ATOM 11936 CA SER H 214 −23.580 −49.427 −9.553 1.0093.94 MOL3 C ATOM 11937 CB SER H 214 −23.965 −50.266 −8.343 1.00 93.75MOL3 C ATOM 11938 OG SER H 214 −23.219 −49.865 −7.205 1.00 89.83 MOL3 OATOM 11939 C SER H 214 −23.949 −47.980 −9.290 1.00 95.88 MOL3 C ATOM11940 O SER H 214 −25.095 −47.665 −8.984 1.00 100.11 MOL3 O ATOM 11941 NSER H 215 −22.960 −47.104 −9.403 1.00 97.87 MOL3 N ATOM 11942 CA SER H215 −23.143 −45.680 −9.167 1.00 99.24 MOL3 C ATOM 11943 CB SER H 215−23.980 −45.070 −10.284 1.00 98.78 MOL3 C ATOM 11944 OG SER H 215−23.278 −45.147 −11.514 1.00 102.48 MOL3 O ATOM 11945 C SER H 215−23.767 −45.381 −7.812 1.00 99.58 MOL3 C ATOM 11946 O SER H 215 −24.384−44.337 −7.628 1.00 102.78 MOL3 O ATOM 11947 N THR H 216 −23.587 −46.300−6.867 1.00 97.10 MOL3 N ATOM 11948 CA THR H 216 −24.111 −46.145 −5.5201.00 93.31 MOL3 C ATOM 11949 CB THR H 216 −24.374 −47.504 −4.881 1.0092.04 MOL3 C ATOM 11950 OG1 THR H 216 −24.966 −48.378 −5.846 1.00 88.94MOL3 O ATOM 11951 CG2 THR H 216 −25.316 −47.360 −3.698 1.00 97.81 MOL3 CATOM 11952 C THR H 216 −23.050 −45.432 −4.690 1.00 93.44 MOL3 C ATOM11953 O THR H 216 −21.868 −45.500 −5.008 1.00 89.78 MOL3 O ATOM 11954 NLYS H 217 −23.469 −44.742 −3.634 1.00 93.38 MOL3 N ATOM 11955 CA LYS H217 −22.530 −44.043 −2.768 1.00 88.95 MOL3 C ATOM 11956 CB LYS H 217−22.073 −42.741 −3.428 1.00 85.95 MOL3 C ATOM 11957 CG LYS H 217 −20.668−42.287 −3.026 1.00 90.47 MOL3 C ATOM 11958 CD LYS H 217 −20.061 −41.264−4.023 1.00 95.55 MOL3 C ATOM 11959 CE LYS H 217 −20.843 −39.935 −4.0651.00 98.10 MOL3 C ATOM 11960 NZ LYS H 217 −20.382 −38.979 −5.126 1.0090.44 MOL3 N ATOM 11961 C LYS H 217 −23.224 −43.792 −1.437 1.00 89.96MOL3 C ATOM 11962 O LYS H 217 −23.720 −42.706 −1.156 1.00 93.10 MOL3 OATOM 11963 N VAL H 218 −23.231 −44.843 −0.629 1.00 88.84 MOL3 N ATOM11964 CA VAL H 218 −23.858 −44.902 0.688 1.00 87.90 MOL3 C ATOM 11965 CBVAL H 218 −24.147 −46.359 1.010 1.00 88.66 MOL3 C ATOM 11966 CG1 VAL H218 −25.423 −46.487 1.817 1.00 95.34 MOL3 C ATOM 11967 CG2 VAL H 218−24.190 −47.156 −0.288 1.00 89.64 MOL3 C ATOM 11968 C VAL H 218 −23.005−44.391 1.837 1.00 84.78 MOL3 C ATOM 11969 O VAL H 218 −21.827 −44.6951.893 1.00 80.97 MOL3 O ATOM 11970 N ASP H 219 −23.600 −43.640 2.7591.00 86.47 MOL3 N ATOM 11971 CA ASP H 219 −22.878 −43.158 3.935 1.0090.23 MOL3 C ATOM 11972 CB ASP H 219 −22.793 −41.633 3.970 1.00 95.17MOL3 C ATOM 11973 CG ASP H 219 −21.793 −41.082 2.968 1.00 102.60 MOL3 CATOM 11974 OD1 ASP H 219 −20.742 −41.732 2.788 1.00 104.56 MOL3 O ATOM11975 OD2 ASP H 219 −22.043 −40.004 2.373 1.00 102.34 MOL3 O ATOM 11976C ASP H 219 −23.655 −43.651 5.132 1.00 92.51 MOL3 C ATOM 11977 O ASP H219 −24.871 −43.495 5.180 1.00 99.15 MOL3 O ATOM 11978 N LYS H 220−22.962 −44.261 6.089 1.00 92.41 MOL3 N ATOM 11979 CA LYS H 220 −23.622−44.796 7.275 1.00 93.36 MOL3 C ATOM 11980 CB LYS H 220 −23.543 −46.3337.260 1.00 84.54 MOL3 C ATOM 11981 CG LYS H 220 −24.734 −47.055 7.9141.00 81.35 MOL3 C ATOM 11982 CD LYS H 220 −25.977 −47.143 7.015 1.0075.68 MOL3 C ATOM 11983 CE LYS H 220 −25.735 −48.051 5.800 1.00 87.50MOL3 C ATOM 11984 NZ LYS H 220 −26.946 −48.477 4.992 1.00 88.31 MOL3 NATOM 11985 C LYS H 220 −22.944 −44.228 8.521 1.00 94.15 MOL3 C ATOM11986 O LYS H 220 −21.753 −44.423 8.725 1.00 91.61 MOL3 O ATOM 11987 NLYS H 221 −23.693 −43.500 9.343 1.00 96.99 MOL3 N ATOM 11988 CA LYS H221 −23.106 −42.934 10.545 1.00 95.18 MOL3 C ATOM 11989 CB LYS H 221−23.928 −41.739 11.040 1.00 98.20 MOL3 C ATOM 11990 CG LYS H 221 −23.304−41.018 12.223 1.00 101.59 MOL3 C ATOM 11991 CD LYS H 221 −24.228−39.946 12.803 1.00 105.32 MOL3 C ATOM 11992 CE LYS H 221 −24.359−38.736 11.884 1.00 107.02 MOL3 C ATOM 11993 NZ LYS H 221 −25.213−37.656 12.475 1.00 101.78 MOL3 N ATOM 11994 C LYS H 221 −23.036 −44.02711.600 1.00 93.02 MOL3 C ATOM 11995 O LYS H 221 −23.934 −44.873 11.7041.00 91.92 MOL3 O ATOM 11996 N ILE H 222 −21.955 −44.022 12.368 1.0089.58 MOL3 N ATOM 11997 CA ILE H 222 −21.774 −45.030 13.400 1.00 88.34MOL3 C ATOM 11998 CB ILE H 222 −20.288 −45.415 13.580 1.00 83.38 MOL3 CATOM 11999 CG2 ILE H 222 −20.164 −46.498 14.621 1.00 84.72 MOL3 C ATOM12000 CG1 ILE H 222 −19.715 −45.965 12.280 1.00 78.50 MOL3 C ATOM 12001CD1 ILE H 222 −19.672 −44.965 11.171 1.00 84.43 MOL3 C ATOM 12002 C ILEH 222 −22.311 −44.550 14.734 1.00 86.50 MOL3 C ATOM 12003 O ILE H 222−21.734 −43.681 15.365 1.00 82.24 MOL3 O ATOM 12004 N VAL H 223 −23.432−45.113 15.156 1.00 90.57 MOL3 N ATOM 12005 CA VAL H 223 −24.008 −44.72816.427 1.00 95.46 MOL3 C ATOM 12006 CB VAL H 223 −25.396 −44.102 16.2561.00 91.96 MOL3 C ATOM 12007 CG1 VAL H 223 −25.266 −42.793 15.504 1.0088.47 MOL3 C ATOM 12008 CG2 VAL H 223 −26.318 −45.063 15.529 1.00 92.22MOL3 C ATOM 12009 C VAL H 223 −24.086 −45.928 17.349 1.00 100.28 MOL3 CATOM 12010 O VAL H 223 −24.399 −47.046 16.928 1.00 105.28 MOL3 O ATOM12011 N PRO H 224 −23.784 −45.704 18.629 1.00 99.26 MOL3 N ATOM 12012 CDPRO H 224 −23.449 −44.354 19.105 1.00 92.15 MOL3 C ATOM 12013 CA PRO H224 −23.766 −46.665 19.730 1.00 102.86 MOL3 C ATOM 12014 CB PRO H 224−23.245 −45.828 20.882 1.00 100.47 MOL3 C ATOM 12015 CG PRO H 224−23.768 −44.457 20.544 1.00 94.92 MOL3 C ATOM 12016 C PRO H 224 −25.101−47.313 20.057 1.00 109.86 MOL3 C ATOM 12017 O PRO H 224 −26.122 −46.99019.459 1.00 111.11 MOL3 O ATOM 12018 N ARG H 225 −25.080 −48.245 21.0021.00 119.34 MOL3 N ATOM 12019 CA ARG H 225 −26.306 −48.904 21.437 1.00129.90 MOL3 C ATOM 12020 CB ARG H 225 −26.143 −50.422 21.468 1.00 127.38MOL3 C ATOM 12021 CG ARG H 225 −26.052 −51.065 20.101 1.00 117.97 MOL3 CATOM 12022 CD ARG H 225 −24.671 −50.923 19.513 1.00 107.99 MOL3 C ATOM12023 NE ARG H 225 −24.461 −51.902 18.450 1.00 107.59 MOL3 N ATOM 12024CZ ARG H 225 −24.624 −53.215 18.595 1.00 103.80 MOL3 C ATOM 12025 NH1ARG H 225 −24.405 −54.031 17.570 1.00 101.69 MOL3 N ATOM 12026 NH2 ARG H225 −25.010 −53.715 19.763 1.00 101.56 MOL3 N ATOM 12027 C ARG H 225−26.687 −48.382 22.825 1.00 138.98 MOL3 C ATOM 12028 O ARG H 225 −25.836−47.869 23.562 1.00 138.90 MOL3 O ATOM 12029 N ASP H 226 −27.964 −48.51323.176 1.00 148.18 MOL3 N ATOM 12030 CA ASP H 226 −28.457 −48.017 24.4611.00 156.78 MOL3 C ATOM 12031 CB ASP H 226 −29.974 −47.765 24.378 1.00157.84 MOL3 C ATOM 12032 CG ASP H 226 −30.340 −46.675 23.370 1.00 158.63MOL3 C ATOM 12033 OD1 ASP H 226 −31.513 −46.239 23.362 1.00 157.41 MOL3O ATOM 12034 OD2 ASP H 226 −29.461 −46.256 22.584 1.00 157.97 MOL3 OATOM 12035 C ASP H 226 −28.140 −48.882 25.691 1.00 160.96 MOL3 C ATOM12036 O ASP H 226 −27.022 −48.852 26.213 1.00 160.25 MOL3 O ATOM 12037 NCYS H 227 −29.129 −49.638 26.158 1.00 167.01 MOL3 N ATOM 12038 CA CYS H227 −28.954 −50.485 27.333 1.00 172.77 MOL3 C ATOM 12039 CB CYS H 227−30.325 −50.765 27.988 1.00 176.72 MOL3 C ATOM 12040 SG CYS H 227−31.668 −51.545 27.008 1.00 183.08 MOL3 S ATOM 12041 C CYS H 227 −28.199−51.789 27.059 1.00 174.15 MOL3 C ATOM 12042 O CYS H 227 −27.700 −51.95825.921 1.00 174.94 MOL3 O ATOM 12043 OXT CYS H 227 −28.104 −52.61827.995 1.00 175.28 MOL3 O ATOM 12044 CB GLU I 15 28.076 −18.463 −10.2371.00 162.95 MOL3 C ATOM 12045 CG GLU I 15 27.674 −18.794 −8.792 1.00163.87 MOL3 C ATOM 12046 CD GLU I 15 27.343 −17.564 −7.955 1.00 163.49MOL3 C ATOM 12047 OE1 GLU I 15 28.222 −16.684 −7.824 1.00 162.41 MOL3 OATOM 12048 OE2 GLU I 15 26.212 −17.481 −7.421 1.00 160.36 MOL3 O ATOM12049 C GLU I 15 26.323 −16.749 −10.849 1.00 163.75 MOL3 C ATOM 12050 OGLU I 15 25.252 −16.652 −10.243 1.00 163.46 MOL3 O ATOM 12051 N GLU I 1527.404 −18.150 −12.598 1.00 161.12 MOL3 N ATOM 12052 CA GLU I 15 26.915−18.125 −11.188 1.00 163.21 MOL3 C ATOM 12053 N SER I 16 27.020 −15.693−11.262 1.00 163.58 MOL3 N ATOM 12054 CA SER I 16 26.593 −14.319 −11.0091.00 162.86 MOL3 C ATOM 12055 CB SER I 16 27.451 −13.714 −9.892 1.00160.63 MOL3 C ATOM 12056 OG SER I 16 27.167 −12.339 −9.700 1.00 158.49MOL3 O ATOM 12057 C SER I 16 26.702 −13.445 −12.264 1.00 164.09 MOL3 CATOM 12058 O SER I 16 26.070 −12.390 −12.351 1.00 164.62 MOL3 O ATOM12059 N CYS I 17 27.503 −13.895 −13.229 1.00 165.88 MOL3 N ATOM 12060 CACYS I 17 27.723 −13.155 −14.476 1.00 168.09 MOL3 C ATOM 12061 C CYS I 1726.405 −12.749 −15.143 1.00 169.75 MOL3 C ATOM 12062 O CYS I 17 25.363−13.364 −14.911 1.00 168.23 MOL3 O ATOM 12063 CB CYS I 17 28.543 −13.991−15.488 1.00 168.90 MOL3 C ATOM 12064 SG CYS I 17 29.769 −15.216 −14.8751.00 172.29 MOL3 S ATOM 12065 N PRO I 18 26.441 −11.695 −15.981 1.00173.94 MOL3 N ATOM 12066 CD PRO I 18 27.604 −10.809 −16.170 1.00 175.68MOL3 C ATOM 12067 CA PRO I 18 25.272 −11.177 −16.707 1.00 176.27 MOL3 CATOM 12068 CB PRO I 18 25.854 −10.018 −17.516 1.00 176.47 MOL3 C ATOM12069 CG PRO I 18 26.950 −9.517 −16.623 1.00 177.15 MOL3 C ATOM 12070 CPRO I 18 24.671 −12.262 −17.602 1.00 177.65 MOL3 C ATOM 12071 O PRO I 1825.175 −12.531 −18.698 1.00 177.40 MOL3 O ATOM 12072 N PRO I 19 23.573−12.885 −17.144 1.00 178.76 MOL3 N ATOM 12073 CD PRO I 19 22.801 −12.395−15.989 1.00 178.22 MOL3 C ATOM 12074 CA PRO I 19 22.842 −13.957 −17.8331.00 179.21 MOL3 C ATOM 12075 CB PRO I 19 21.534 −14.056 −17.037 1.00179.55 MOL3 C ATOM 12076 CG PRO I 19 21.391 −12.689 −16.414 1.00 179.46MOL3 C ATOM 12077 C PRO I 19 22.609 −13.803 −19.342 1.00 179.60 MOL3 CATOM 12078 O PRO I 19 22.938 −12.779 −19.950 1.00 179.12 MOL3 O ATOM12079 N VAL I 20 22.040 −14.854 −19.928 1.00 179.64 MOL3 N ATOM 12080 CAVAL I 20 21.747 −14.924 −21.356 1.00 179.72 MOL3 C ATOM 12081 CB VAL I20 22.385 −16.214 −21.958 1.00 179.88 MOL3 C ATOM 12082 CG1 VAL I 2021.393 −17.369 −21.888 1.00 178.65 MOL3 C ATOM 12083 CG2 VAL I 20 22.869−15.969 −23.379 1.00 179.43 MOL3 C ATOM 12084 C VAL I 20 20.221 −14.982−21.506 1.00 179.53 MOL3 C ATOM 12085 O VAL I 20 19.513 −15.232 −20.5281.00 179.05 MOL3 O ATOM 12086 N PRO I 21 19.695 −14.742 −22.723 1.00179.95 MOL3 N ATOM 12087 CD PRO I 21 20.392 −14.285 −23.942 1.00 179.35MOL3 C ATOM 12088 CA PRO I 21 18.247 −14.781 −22.949 1.00 180.09 MOL3 CATOM 12089 CB PRO I 21 18.151 −14.857 −24.465 1.00 179.29 MOL3 C ATOM12090 CG PRO I 21 19.237 −13.907 −24.870 1.00 180.07 MOL3 C ATOM 12091 CPRO I 21 17.503 −15.917 −22.235 1.00 180.81 MOL3 C ATOM 12092 O PRO I 2116.366 −15.731 −21.794 1.00 179.87 MOL3 O ATOM 12093 N GLY I 22 18.139−17.083 −22.117 1.00 181.44 MOL3 N ATOM 12094 CA GLY I 22 17.503 −18.198−21.432 1.00 180.30 MOL3 C ATOM 12095 C GLY I 22 17.641 −19.565 −22.0811.00 179.20 MOL3 C ATOM 12096 O GLY I 22 17.286 −19.749 −23.250 1.00179.81 MOL3 O ATOM 12097 N GLY I 23 18.151 −20.527 −21.314 1.00 177.37MOL3 N ATOM 12098 CA GLY I 23 18.321 −21.882 −21.815 1.00 174.20 MOL3 CATOM 12099 C GLY I 23 19.267 −22.011 −22.996 1.00 171.91 MOL3 C ATOM12100 O GLY I 23 18.878 −22.495 −24.062 1.00 173.02 MOL3 O ATOM 12101 NSER I 24 20.512 −21.584 −22.807 1.00 167.31 MOL3 N ATOM 12102 CA SER I24 21.517 −21.654 −23.861 1.00 161.68 MOL3 C ATOM 12103 CB SER I 2421.215 −20.606 −24.941 1.00 161.88 MOL3 C ATOM 12104 OG SER I 24 21.059−19.311 −24.383 1.00 162.49 MOL3 O ATOM 12105 C SER I 24 22.922 −21.442−23.296 1.00 157.77 MOL3 C ATOM 12106 O SER I 24 23.103 −20.705 −22.3261.00 156.54 MOL3 O ATOM 12107 N MET I 25 23.908 −22.101 −23.901 1.00153.19 MOL3 N ATOM 12108 CA MET I 25 25.298 −21.980 −23.470 1.00 147.19MOL3 C ATOM 12109 CB MET I 25 25.658 −23.140 −22.531 1.00 148.21 MOL3 CATOM 12110 CG MET I 25 24.828 −23.180 −21.241 1.00 149.84 MOL3 C ATOM12111 SD MET I 25 25.033 −24.682 −20.221 1.00 155.01 MOL3 S ATOM 12112CE MET I 25 26.088 −24.076 −18.866 1.00 151.08 MOL3 C ATOM 12113 C MET I25 26.236 −21.943 −24.686 1.00 143.35 MOL3 C ATOM 12114 O MET I 2525.825 −22.221 −25.815 1.00 142.51 MOL3 O ATOM 12115 N LYS I 26 27.494−21.585 −24.449 1.00 139.00 MOL3 N ATOM 12116 CA LYS I 26 28.491 −21.492−25.514 1.00 136.16 MOL3 C ATOM 12117 CB LYS I 26 29.665 −20.617 −25.0511.00 138.48 MOL3 C ATOM 12118 CG LYS I 26 29.436 −19.119 −25.209 1.00139.69 MOL3 C ATOM 12119 CD LYS I 26 28.154 −18.661 −24.524 1.00 141.68MOL3 C ATOM 12120 CE LYS I 26 27.854 −17.196 −24.830 1.00 140.20 MOL3 CATOM 12121 NZ LYS I 26 26.570 −16.747 −24.225 1.00 138.85 MOL3 N ATOM12122 C LYS I 26 29.028 −22.842 −25.991 1.00 132.33 MOL3 C ATOM 12123 OLYS I 26 29.700 −23.552 −25.245 1.00 130.87 MOL3 O ATOM 12124 N LEU I 2728.739 −23.182 −27.243 1.00 127.83 MOL3 N ATOM 12125 CA LEU I 27 29.201−24.437 −27.820 1.00 126.14 MOL3 C ATOM 12126 CB LEU I 27 28.002 −25.273−28.267 1.00 126.37 MOL3 C ATOM 12127 CG LEU I 27 28.270 −26.698 −28.7561.00 125.28 MOL3 C ATOM 12128 CD1 LEU I 27 28.778 −27.539 −27.596 1.00123.34 MOL3 C ATOM 12129 CD2 LEU I 27 26.992 −27.300 −29.329 1.00 122.30MOL3 C ATOM 12130 C LEU I 27 30.089 −24.138 −29.022 1.00 126.93 MOL3 CATOM 12131 O LEU I 27 29.592 −23.915 −30.123 1.00 125.48 MOL3 O ATOM12132 N ASP I 28 31.400 −24.133 −28.814 1.00 130.16 MOL3 N ATOM 12133 CAASP I 28 32.329 −23.848 −29.899 1.00 133.88 MOL3 C ATOM 12134 CB ASP I28 33.775 −23.863 −29.384 1.00 139.45 MOL3 C ATOM 12135 CG ASP I 2834.040 −22.776 −28.349 1.00 142.85 MOL3 C ATOM 12136 OD1 ASP I 28 33.393−22.808 −27.282 1.00 140.81 MOL3 O ATOM 12137 OD2 ASP I 28 34.891−21.890 −28.602 1.00 145.07 MOL3 O ATOM 12138 C ASP I 28 32.173 −24.842−31.045 1.00 133.64 MOL3 C ATOM 12139 O ASP I 28 31.911 −26.026 −30.8311.00 131.79 MOL3 O ATOM 12140 N ILE I 29 32.321 −24.344 −32.267 1.00135.74 MOL3 N ATOM 12141 CA ILE I 29 32.214 −25.190 −33.447 1.00 138.15MOL3 C ATOM 12142 CB ILE I 29 32.085 −24.365 −34.739 1.00 142.38 MOL3 CATOM 12143 CG2 ILE I 29 30.785 −23.569 −34.717 1.00 144.15 MOL3 C ATOM12144 CG1 ILE I 29 33.317 −23.463 −34.896 1.00 144.80 MOL3 C ATOM 12145CD1 ILE I 29 33.425 −22.759 −36.238 1.00 144.70 MOL3 C ATOM 12146 C ILEI 29 33.486 −26.012 −33.554 1.00 136.65 MOL3 C ATOM 12147 O ILE I 2934.481 −25.727 −32.883 1.00 136.50 MOL3 O ATOM 12148 N GLY I 30 33.455−27.027 −34.407 1.00 133.72 MOL3 N ATOM 12149 CA GLY I 30 34.625 −27.862−34.571 1.00 130.45 MOL3 C ATOM 12150 C GLY I 30 34.696 −28.942 −33.5141.00 125.76 MOL3 C ATOM 12151 O GLY I 30 34.797 −28.668 −32.318 1.00124.14 MOL3 O ATOM 12152 N ILE I 31 34.649 −30.183 −33.973 1.00 122.20MOL3 N ATOM 12153 CA ILE I 31 34.699 −31.334 −33.095 1.00 117.41 MOL3 CATOM 12154 CB ILE I 31 33.791 −32.462 −33.634 1.00 115.17 MOL3 C ATOM12155 CG2 ILE I 31 33.610 −33.530 −32.575 1.00 115.99 MOL3 C ATOM 12156CG1 ILE I 31 32.428 −31.897 −34.053 1.00 109.89 MOL3 C ATOM 12157 CD1ILE I 31 32.432 −31.169 −35.386 1.00 106.19 MOL3 C ATOM 12158 C ILE I 3136.134 −31.849 −33.004 1.00 116.13 MOL3 C ATOM 12159 O ILE I 31 36.793−32.045 −34.022 1.00 115.05 MOL3 O ATOM 12160 N ILE I 32 36.611 −32.064−31.785 1.00 116.20 MOL3 N ATOM 12161 CA ILE I 32 37.959 −32.563 −31.5691.00 119.99 MOL3 C ATOM 12162 CB ILE I 32 38.343 −32.472 −30.084 1.00121.62 MOL3 C ATOM 12163 CG2 ILE I 32 39.748 −33.022 −29.879 1.00 124.67MOL3 C ATOM 12164 CG1 ILE I 32 38.249 −31.020 −29.607 1.00 121.53 MOL3 CATOM 12165 CD1 ILE I 32 38.719 −30.806 −28.169 1.00 120.71 MOL3 C ATOM12166 C ILE I 32 38.087 −34.021 −32.013 1.00 122.93 MOL3 C ATOM 12167 OILE I 32 37.331 −34.877 −31.564 1.00 123.52 MOL3 O ATOM 12168 N ASN I 3339.046 −34.291 −32.896 1.00 128.61 MOL3 N ATOM 12169 CA ASN I 33 39.295−35.640 −33.410 1.00 134.25 MOL3 C ATOM 12170 CB ASN I 33 39.338 −36.659−32.266 1.00 138.33 MOL3 C ATOM 12171 CG ASN I 33 40.529 −36.467 −31.3501.00 143.66 MOL3 C ATOM 12172 OD1 ASN I 33 40.677 −37.177 −30.354 1.00147.45 MOL3 O ATOM 12173 ND2 ASN I 33 41.387 −35.508 −31.682 1.00 147.64MOL3 N ATOM 12174 C ASN I 33 38.268 −36.109 −34.434 1.00 136.93 MOL3 CATOM 12175 O ASN I 33 38.037 −37.307 −34.572 1.00 137.56 MOL3 O ATOM12176 N GLU I 34 37.661 −35.171 −35.151 1.00 141.98 MOL3 N ATOM 12177 CAGLU I 34 36.659 −35.495 −36.162 1.00 147.90 MOL3 C ATOM 12178 CB GLU I34 36.202 −34.206 −36.851 1.00 149.63 MOL3 C ATOM 12179 CG GLU I 3435.181 −34.405 −37.957 1.00 155.63 MOL3 C ATOM 12180 CD GLU I 34 34.739−33.094 −38.585 1.00 157.32 MOL3 C ATOM 12181 OE1 GLU I 34 34.140−32.265 −37.867 1.00 159.91 MOL3 O ATOM 12182 OE2 GLU I 34 34.993−32.894 −39.794 1.00 156.42 MOL3 O ATOM 12183 C GLU I 34 37.199 −36.483−37.198 1.00 152.50 MOL3 C ATOM 12184 O GLU I 34 36.446 −37.034 −38.0051.00 150.94 MOL3 O ATOM 12185 N ASN I 35 38.506 −36.718 −37.162 1.00160.08 MOL3 N ATOM 12186 CA ASN I 35 39.136 −37.626 −38.113 1.00 166.41MOL3 C ATOM 12187 CB ASN I 35 40.524 −37.093 −38.495 1.00 169.05 MOL3 CATOM 12188 CG ASN I 35 40.452 −35.768 −39.252 1.00 168.59 MOL3 C ATOM12189 OD1 ASN I 35 39.841 −35.678 −40.319 1.00 166.12 MOL3 O ATOM 12190ND2 ASN I 35 41.076 −34.735 −38.696 1.00 169.03 MOL3 N ATOM 12191 C ASNI 35 39.210 −39.101 −37.680 1.00 167.95 MOL3 C ATOM 12192 O ASN I 3539.466 −39.975 −38.511 1.00 169.37 MOL3 O ATOM 12193 N GLN I 36 38.982−39.380 −36.397 1.00 167.80 MOL3 N ATOM 12194 CA GLN I 36 38.996 −40.760−35.906 1.00 169.12 MOL3 C ATOM 12195 CB GLN I 36 38.535 −40.814 −34.4441.00 168.38 MOL3 C ATOM 12196 CG GLN I 36 39.615 −40.555 −33.393 1.00167.52 MOL3 C ATOM 12197 CD GLN I 36 40.523 −41.758 −33.160 1.00 166.66MOL3 C ATOM 12198 OE1 GLN I 36 41.340 −41.765 −32.237 1.00 163.74 MOL3 OATOM 12199 NE2 GLN I 36 40.383 −42.779 −34.000 1.00 167.07 MOL3 N ATOM12200 C GLN I 36 38.034 −41.584 −36.760 1.00 171.58 MOL3 C ATOM 12201 OGLN I 36 36.821 −41.354 −36.727 1.00 169.42 MOL3 O ATOM 12202 N ARG I 3738.569 −42.544 −37.514 1.00 175.43 MOL3 N ATOM 12203 CA ARG I 37 37.741−43.376 −38.385 1.00 178.58 MOL3 C ATOM 12204 CB ARG I 37 38.587 −44.001−39.503 1.00 180.60 MOL3 C ATOM 12205 CG ARG I 37 37.771 −44.812 −40.5171.00 180.87 MOL3 C ATOM 12206 CD ARG I 37 38.629 −45.374 −41.654 1.00180.99 MOL3 C ATOM 12207 NE ARG I 37 38.691 −44.504 −42.830 1.00 180.13MOL3 N ATOM 12208 CZ ARG I 37 39.248 −43.295 −42.859 1.00 179.27 MOL3 CATOM 12209 NH1 ARG I 37 39.806 −42.780 −41.772 1.00 178.28 MOL3 N ATOM12210 NH2 ARG I 37 39.253 −42.599 −43.989 1.00 178.79 MOL3 N ATOM 12211C ARG I 37 36.966 −44.474 −37.661 1.00 179.06 MOL3 C ATOM 12212 O ARG I37 37.439 −45.049 −36.676 1.00 177.51 MOL3 O ATOM 12213 N VAL I 3835.767 −44.749 −38.174 1.00 180.94 MOL3 N ATOM 12214 CA VAL I 38 34.870−45.763 −37.623 1.00 181.97 MOL3 C ATOM 12215 CB VAL I 38 33.609 −45.946−38.515 1.00 182.48 MOL3 C ATOM 12216 CG1 VAL I 38 32.638 −46.912−37.851 1.00 180.01 MOL3 C ATOM 12217 CG2 VAL I 38 32.940 −44.598−38.770 1.00 182.29 MOL3 C ATOM 12218 C VAL I 38 35.578 −47.106 −37.5131.00 181.78 MOL3 C ATOM 12219 O VAL I 38 35.495 −47.940 −38.416 1.00182.53 MOL3 O ATOM 12220 N SER I 39 36.272 −47.314 −36.402 1.00 180.64MOL3 N ATOM 12221 CA SER I 39 36.995 −48.557 −36.198 1.00 180.27 MOL3 CATOM 12222 CB SER I 39 37.880 −48.450 −34.954 1.00 182.42 MOL3 C ATOM12223 OG SER I 39 38.805 −49.523 −34.890 1.00 184.31 MOL3 O ATOM 12224 CSER I 39 36.027 −49.734 −36.065 1.00 178.35 MOL3 C ATOM 12225 O SER I 3935.590 −50.080 −34.965 1.00 177.64 MOL3 O ATOM 12226 N MET I 40 35.687−50.333 −37.203 1.00 175.54 MOL3 N ATOM 12227 CA MET I 40 34.791 −51.486−37.245 1.00 169.58 MOL3 C ATOM 12228 CB MET I 40 33.400 −51.100 −37.7711.00 168.92 MOL3 C ATOM 12229 CG MET I 40 32.565 −50.221 −36.855 1.00166.14 MOL3 C ATOM 12230 SD MET I 40 30.812 −50.310 −37.299 1.00 161.34MOL3 S ATOM 12231 CE MET I 40 30.822 −49.553 −38.922 1.00 163.80 MOL3 CATOM 12232 C MET I 40 35.373 −52.562 −38.159 1.00 164.34 MOL3 C ATOM12233 O MET I 40 34.960 −52.686 −39.316 1.00 163.71 MOL3 O ATOM 12234 NSER I 41 36.339 −53.323 −37.649 1.00 156.31 MOL3 N ATOM 12235 CA SER I41 36.942 −54.392 −38.435 1.00 148.84 MOL3 C ATOM 12236 CB SER I 4137.887 −55.236 −37.578 1.00 147.06 MOL3 C ATOM 12237 OG SER I 41 38.952−54.454 −37.077 1.00 143.09 MOL3 O ATOM 12238 C SER I 41 35.789 −55.249−38.925 1.00 145.37 MOL3 C ATOM 12239 O SER I 41 35.267 −56.089 −38.1981.00 146.63 MOL3 O ATOM 12240 N ARG I 42 35.389 −55.020 −40.165 1.00140.97 MOL3 N ATOM 12241 CA ARG I 42 34.274 −55.735 −40.760 1.00 135.24MOL3 C ATOM 12242 CB ARG I 42 34.191 −55.397 −42.251 1.00 138.21 MOL3 CATOM 12243 CG ARG I 42 32.791 −55.444 −42.836 1.00 142.33 MOL3 C ATOM12244 CD ARG I 42 32.624 −54.362 −43.900 1.00 147.22 MOL3 C ATOM 12245NE ARG I 42 32.913 −53.033 −43.356 1.00 151.01 MOL3 N ATOM 12246 CZ ARGI 42 32.777 −51.891 −44.027 1.00 151.43 MOL3 C ATOM 12247 NH1 ARG I 4232.350 −51.895 −45.284 1.00 151.19 MOL3 N ATOM 12248 NH2 ARG I 42 33.074−50.739 −43.440 1.00 152.19 MOL3 N ATOM 12249 C ARG I 42 34.294 −57.249−40.567 1.00 128.50 MOL3 C ATOM 12250 O ARG I 42 35.346 −57.878 −40.4201.00 126.72 MOL3 O ATOM 12251 N ASN I 43 33.090 −57.805 −40.553 1.00121.76 MOL3 N ATOM 12252 CA ASN I 43 32.846 −59.229 −40.405 1.00 114.72MOL3 C ATOM 12253 CB ASN I 43 33.385 −59.960 −41.628 1.00 121.20 MOL3 CATOM 12254 CG ASN I 43 32.607 −59.614 −42.881 1.00 126.99 MOL3 C ATOM12255 OD1 ASN I 43 32.585 −58.458 −43.308 1.00 131.03 MOL3 O ATOM 12256ND2 ASN I 43 31.947 −60.608 −43.467 1.00 128.09 MOL3 N ATOM 12257 C ASNI 43 33.274 −59.943 −39.129 1.00 106.15 MOL3 C ATOM 12258 O ASN I 4332.968 −61.125 −38.971 1.00 109.43 MOL3 O ATOM 12259 N ILE I 44 33.953−59.262 −38.206 1.00 92.33 MOL3 N ATOM 12260 CA ILE I 44 34.334 −59.945−36.968 1.00 78.29 MOL3 C ATOM 12261 CB ILE I 44 35.195 −59.098 −36.0101.00 71.39 MOL3 C ATOM 12262 CG2 ILE I 44 36.374 −58.488 −36.736 1.0077.24 MOL3 C ATOM 12263 CG1 ILE I 44 34.335 −58.031 −35.359 1.00 62.95MOL3 C ATOM 12264 CD1 ILE I 44 35.046 −57.323 −34.262 1.00 60.82 MOL3 CATOM 12265 C ILE I 44 33.052 −60.237 −36.227 1.00 72.52 MOL3 C ATOM12266 O ILE I 44 33.018 −61.063 −35.328 1.00 69.19 MOL3 O ATOM 12267 NGLU I 45 31.995 −59.535 −36.607 1.00 71.23 MOL3 N ATOM 12268 CA GLU I 4530.699 −59.722 −35.985 1.00 72.96 MOL3 C ATOM 12269 CB GLU I 45 29.681−58.728 −36.539 1.00 75.42 MOL3 C ATOM 12270 CG GLU I 45 30.258 −57.695−37.494 1.00 92.67 MOL3 C ATOM 12271 CD GLU I 45 29.653 −57.785 −38.8951.00 103.60 MOL3 C ATOM 12272 OE1 GLU I 45 28.517 −58.303 −39.013 1.00106.90 MOL3 O ATOM 12273 OE2 GLU I 45 30.302 −57.325 −39.871 1.00 104.63MOL3 O ATOM 12274 C GLU I 45 30.226 −61.127 −36.290 1.00 70.37 MOL3 CATOM 12275 O GLU I 45 29.288 −61.625 −35.674 1.00 75.71 MOL3 O ATOM12276 N SER I 46 30.871 −61.772 −37.250 1.00 66.05 MOL3 N ATOM 12277 CASER I 46 30.482 −63.127 −37.604 1.00 67.53 MOL3 C ATOM 12278 CB SER I 4630.000 −63.188 −39.055 1.00 66.91 MOL3 C ATOM 12279 OG SER I 46 30.684−62.251 −39.865 1.00 70.73 MOL3 O ATOM 12280 C SER I 46 31.582 −64.150−37.367 1.00 66.95 MOL3 C ATOM 12281 O SER I 46 31.358 −65.353 −37.5031.00 68.04 MOL3 O ATOM 12282 N ARG I 47 32.765 −63.671 −36.999 1.0064.16 MOL3 N ATOM 12283 CA ARG I 47 33.884 −64.558 −36.724 1.00 62.29MOL3 C ATOM 12284 CB ARG I 47 35.204 −63.917 −37.163 1.00 59.57 MOL3 CATOM 12285 CG ARG I 47 35.200 −63.317 −38.550 1.00 56.22 MOL3 C ATOM12286 CD ARG I 47 36.607 −63.280 −39.127 1.00 60.55 MOL3 C ATOM 12287 NEARG I 47 37.637 −62.948 −38.140 1.00 64.99 MOL3 N ATOM 12288 CZ ARG I 4738.135 −61.730 −37.925 1.00 70.18 MOL3 C ATOM 12289 NH1 ARG I 47 37.702−60.681 −38.629 1.00 68.79 MOL3 N ATOM 12290 NH2 ARG I 47 39.090 −61.566−37.013 1.00 65.99 MOL3 N ATOM 12291 C ARG I 47 33.948 −64.853 −35.2241.00 63.25 MOL3 C ATOM 12292 O ARG I 47 34.722 −65.697 −34.783 1.0069.03 MOL3 O ATOM 12293 N SER I 48 33.133 −64.154 −34.444 1.00 57.25MOL3 N ATOM 12294 CA SER I 48 33.121 −64.332 −33.002 1.00 55.05 MOL3 CATOM 12295 CB SER I 48 32.484 −63.107 −32.334 1.00 57.41 MOL3 C ATOM12296 OG SER I 48 32.431 −63.231 −30.919 1.00 60.15 MOL3 O ATOM 12297 CSER I 48 32.368 −65.581 −32.586 1.00 56.43 MOL3 C ATOM 12298 O SER I 4831.442 −66.016 −33.265 1.00 53.09 MOL3 O ATOM 12299 N THR I 49 32.783−66.151 −31.460 1.00 57.82 MOL3 N ATOM 12300 CA THR I 49 32.155 −67.338−30.904 1.00 58.63 MOL3 C ATOM 12301 CB THR I 49 32.918 −67.825 −29.6771.00 61.95 MOL3 C ATOM 12302 OG1 THR I 49 32.690 −66.924 −28.585 1.0063.24 MOL3 O ATOM 12303 CG2 THR I 49 34.398 −67.863 −29.971 1.00 69.51MOL3 C ATOM 12304 C THR I 49 30.768 −66.928 −30.443 1.00 58.47 MOL3 CATOM 12305 O THR I 49 29.925 −67.775 −30.149 1.00 65.64 MOL3 O ATOM12306 N SER I 50 30.557 −65.619 −30.352 1.00 51.66 MOL3 N ATOM 12307 CASER I 50 29.283 −65.054 −29.931 1.00 45.28 MOL3 C ATOM 12308 CB SER I 5029.392 −64.456 −28.519 1.00 47.18 MOL3 C ATOM 12309 OG SER I 50 30.412−63.477 −28.395 1.00 40.37 MOL3 O ATOM 12310 C SER I 50 28.953 −63.980−30.942 1.00 44.20 MOL3 C ATOM 12311 O SER I 50 29.090 −62.797 −30.6761.00 47.70 MOL3 O ATOM 12312 N PRO I 51 28.509 −64.395 −32.127 1.0045.21 MOL3 N ATOM 12313 CD PRO I 51 28.056 −65.785 −32.242 1.00 46.36MOL3 C ATOM 12314 CA PRO I 51 28.115 −63.618 −33.314 1.00 43.94 MOL3 CATOM 12315 CB PRO I 51 27.623 −64.678 −34.291 1.00 46.00 MOL3 C ATOM12316 CG PRO I 51 28.124 −65.997 −33.710 1.00 53.03 MOL3 C ATOM 12317 CPRO I 51 27.015 −62.633 −33.027 1.00 42.77 MOL3 C ATOM 12318 O PRO I 5126.266 −62.804 −32.079 1.00 50.02 MOL3 O ATOM 12319 N TRP I 52 26.886−61.625 −33.871 1.00 42.01 MOL3 N ATOM 12320 CA TRP I 52 25.842 −60.631−33.676 1.00 43.72 MOL3 C ATOM 12321 CB TRP I 52 26.248 −59.690 −32.5611.00 41.79 MOL3 C ATOM 12322 CG TRP I 52 27.348 −58.743 −32.939 1.0047.86 MOL3 C ATOM 12323 CD2 TRP I 52 28.725 −58.830 −32.554 1.00 45.17MOL3 C ATOM 12324 CE2 TRP I 52 29.362 −57.675 −33.024 1.00 41.06 MOL3 CATOM 12325 CE3 TRP I 52 29.475 −59.771 −31.848 1.00 52.60 MOL3 C ATOM12326 CD1 TRP I 52 27.219 −57.576 −33.629 1.00 45.22 MOL3 C ATOM 12327NE1 TRP I 52 28.423 −56.926 −33.679 1.00 44.52 MOL3 N ATOM 12328 CZ2 TRPI 52 30.706 −57.431 −32.809 1.00 42.81 MOL3 C ATOM 12329 CZ3 TRP I 5230.812 −59.525 −31.634 1.00 54.69 MOL3 C ATOM 12330 CH2 TRP I 52 31.413−58.364 −32.112 1.00 50.64 MOL3 C ATOM 12331 C TRP I 52 25.559 −59.825−34.937 1.00 47.78 MOL3 C ATOM 12332 O TRP I 52 26.452 −59.611 −35.7511.00 57.91 MOL3 O ATOM 12333 N ASN I 53 24.318 −59.379 −35.102 1.0047.44 MOL3 N ATOM 12334 CA ASN I 53 23.940 −58.581 −36.266 1.00 52.67MOL3 C ATOM 12335 CB ASN I 53 22.504 −58.853 −36.697 1.00 59.42 MOL3 CATOM 12336 CG ASN I 53 22.321 −60.215 −37.296 1.00 72.49 MOL3 C ATOM12337 OD1 ASN I 53 21.503 −61.011 −36.818 1.00 80.15 MOL3 O ATOM 12338ND2 ASN I 53 23.068 −60.500 −38.360 1.00 76.42 MOL3 N ATOM 12339 C ASN I53 24.022 −57.114 −35.917 1.00 55.36 MOL3 C ATOM 12340 O ASN I 53 24.062−56.747 −34.745 1.00 56.59 MOL3 O ATOM 12341 N TYR I 54 24.036 −56.274−36.945 1.00 59.30 MOL3 N ATOM 12342 CA TYR I 54 24.083 −54.827 −36.7631.00 60.15 MOL3 C ATOM 12343 CB TYR I 54 25.236 −54.194 −37.549 1.0067.64 MOL3 C ATOM 12344 CG TYR I 54 26.588 −54.204 −36.862 1.00 73.74MOL3 C ATOM 12345 CD1 TYR I 54 27.695 −54.760 −37.479 1.00 79.03 MOL3 CATOM 12346 CE1 TYR I 54 28.954 −54.712 −36.888 1.00 85.47 MOL3 C ATOM12347 CD2 TYR I 54 26.770 −53.603 −35.627 1.00 80.28 MOL3 C ATOM 12348CE2 TYR I 54 28.027 −53.551 −35.026 1.00 85.95 MOL3 C ATOM 12349 CZ TYRI 54 29.116 −54.106 −35.665 1.00 85.84 MOL3 C ATOM 12350 OH TYR I 5430.374 −54.042 −35.095 1.00 89.54 MOL3 O ATOM 12351 C TYR I 54 22.781−54.287 −37.299 1.00 58.45 MOL3 C ATOM 12352 O TYR I 54 22.101 −54.940−38.082 1.00 64.52 MOL3 O ATOM 12353 N THR I 55 22.432 −53.089 −36.8721.00 59.53 MOL3 N ATOM 12354 CA THR I 55 21.201 −52.449 −37.312 1.0064.27 MOL3 C ATOM 12355 CB THR I 55 20.052 −52.673 −36.344 1.00 62.30MOL3 C ATOM 12356 OG1 THR I 55 19.817 −54.074 −36.188 1.00 66.33 MOL3 OATOM 12357 CG2 THR I 55 18.810 −52.003 −36.869 1.00 62.90 MOL3 C ATOM12358 C THR I 55 21.491 −50.975 −37.279 1.00 68.03 MOL3 C ATOM 12359 OTHR I 55 21.766 −50.431 −36.212 1.00 72.64 MOL3 O ATOM 12360 N VAL I 5621.423 −50.318 −38.428 1.00 68.68 MOL3 N ATOM 12361 CA VAL I 56 21.721−48.896 −38.473 1.00 66.68 MOL3 C ATOM 12362 CB VAL I 56 22.607 −48.547−39.683 1.00 65.22 MOL3 C ATOM 12363 CG1 VAL I 56 23.143 −47.126 −39.5381.00 64.85 MOL3 C ATOM 12364 CG2 VAL I 56 23.734 −49.553 −39.818 1.0070.15 MOL3 C ATOM 12365 C VAL I 56 20.494 −48.006 −38.564 1.00 65.12MOL3 C ATOM 12366 O VAL I 56 19.517 −48.338 −39.224 1.00 68.43 MOL3 OATOM 12367 N THR I 57 20.540 −46.873 −37.882 1.00 63.18 MOL3 N ATOM12368 CA THR I 57 19.450 −45.922 −37.985 1.00 65.41 MOL3 C ATOM 12369 CBTHR I 57 18.649 −45.749 −36.682 1.00 64.42 MOL3 C ATOM 12370 OG1 THR I57 19.343 −44.880 −35.778 1.00 62.37 MOL3 O ATOM 12371 CG2 THR I 5718.436 −47.086 −36.043 1.00 67.87 MOL3 C ATOM 12372 C THR I 57 20.100−44.604 −38.370 1.00 69.15 MOL3 C ATOM 12373 O THR I 57 21.212 −44.273−37.913 1.00 68.91 MOL3 O ATOM 12374 N TRP I 58 19.421 −43.867 −39.2431.00 66.81 MOL3 N ATOM 12375 CA TRP I 58 19.950 −42.598 −39.706 1.0065.75 MOL3 C ATOM 12376 CB TRP I 58 20.240 −42.632 −41.218 1.00 69.27MOL3 C ATOM 12377 CG TRP I 58 20.671 −41.296 −41.743 1.00 68.80 MOL3 CATOM 12378 CD2 TRP I 58 19.861 −40.368 −42.469 1.00 72.41 MOL3 C ATOM12379 CE2 TRP I 58 20.612 −39.180 −42.610 1.00 73.32 MOL3 C ATOM 12380CE3 TRP I 58 18.570 −40.422 −43.007 1.00 73.79 MOL3 C ATOM 12381 CD1 TRPI 58 21.857 −40.659 −41.496 1.00 67.42 MOL3 C ATOM 12382 NE1 TRP I 5821.826 −39.386 −42.008 1.00 72.38 MOL3 N ATOM 12383 CZ2 TRP I 58 20.112−38.056 −43.266 1.00 72.82 MOL3 C ATOM 12384 CZ3 TRP I 58 18.076 −39.306−43.657 1.00 76.30 MOL3 C ATOM 12385 CH2 TRP I 58 18.845 −38.139 −43.7801.00 77.05 MOL3 C ATOM 12386 C TRP I 58 18.999 −41.463 −39.429 1.0061.07 MOL3 C ATOM 12387 O TRP I 58 17.832 −41.524 −39.787 1.00 60.74MOL3 O ATOM 12388 N ASP I 59 19.500 −40.431 −38.770 1.00 60.51 MOL3 NATOM 12389 CA ASP I 59 18.696 −39.254 −38.500 1.00 62.88 MOL3 C ATOM12390 CB ASP I 59 18.256 −39.172 −37.045 1.00 68.73 MOL3 C ATOM 12391 CGASP I 59 17.528 −37.871 −36.733 1.00 72.79 MOL3 C ATOM 12392 OD1 ASP I59 16.982 −37.731 −35.617 1.00 72.88 MOL3 O ATOM 12393 OD2 ASP I 5917.507 −36.979 −37.605 1.00 73.48 MOL3 O ATOM 12394 C ASP I 59 19.530−38.040 −38.834 1.00 69.37 MOL3 C ATOM 12395 O ASP I 59 20.581 −37.792−38.228 1.00 70.12 MOL3 O ATOM 12396 N PRO I 60 19.053 −37.254 −39.8031.00 72.10 MOL3 N ATOM 12397 CD PRO I 60 17.643 −37.400 −40.203 1.0068.92 MOL3 C ATOM 12398 CA PRO I 60 19.614 −36.019 −40.363 1.00 73.74MOL3 C ATOM 12399 CB PRO I 60 18.524 −35.580 −41.318 1.00 75.30 MOL3 CATOM 12400 CG PRO I 60 17.280 −35.993 −40.566 1.00 67.02 MOL3 C ATOM12401 C PRO I 60 19.875 −34.937 −39.323 1.00 74.13 MOL3 C ATOM 12402 OPRO I 60 20.772 −34.097 −39.487 1.00 74.87 MOL3 O ATOM 12403 N ASN I 6119.055 −34.951 −38.275 1.00 71.15 MOL3 N ATOM 12404 CA ASN I 61 19.146−33.980 −37.191 1.00 70.87 MOL3 C ATOM 12405 CB ASN I 61 17.750 −33.541−36.765 1.00 73.60 MOL3 C ATOM 12406 CG ASN I 61 17.078 −32.679 −37.7941.00 80.65 MOL3 C ATOM 12407 OD1 ASN I 61 17.360 −32.791 −38.986 1.0081.99 MOL3 O ATOM 12408 ND2 ASN I 61 16.170 −31.815 −37.346 1.00 85.54MOL3 N ATOM 12409 C ASN I 61 19.850 −34.551 −35.981 1.00 69.03 MOL3 CATOM 12410 O ASN I 61 19.536 −34.189 −34.853 1.00 67.81 MOL3 O ATOM12411 N ARG I 62 20.787 −35.458 −36.206 1.00 69.56 MOL3 N ATOM 12412 CAARG I 62 21.519 −36.048 −35.102 1.00 69.21 MOL3 C ATOM 12413 CB ARG I 6220.895 −37.376 −34.682 1.00 74.15 MOL3 C ATOM 12414 CG ARG I 62 21.690−38.108 −33.600 1.00 76.69 MOL3 C ATOM 12415 CD ARG I 62 21.008 −39.410−33.214 1.00 75.30 MOL3 C ATOM 12416 NE ARG I 62 20.958 −40.346 −34.3291.00 71.91 MOL3 N ATOM 12417 CZ ARG I 62 20.201 −41.436 −34.355 1.0076.00 MOL3 C ATOM 12418 NH1 ARG I 62 19.418 −41.727 −33.320 1.00 82.17MOL3 N ATOM 12419 NH2 ARG I 62 20.236 −42.243 −35.410 1.00 76.17 MOL3 NATOM 12420 C ARG I 62 22.967 −36.269 −35.466 1.00 66.94 MOL3 C ATOM12421 O ARG I 62 23.287 −36.763 −36.555 1.00 70.53 MOL3 O ATOM 12422 NTYR I 63 23.847 −35.897 −34.552 1.00 59.41 MOL3 N ATOM 12423 CA TYR I 6325.255 −36.077 −34.802 1.00 60.87 MOL3 C ATOM 12424 CB TYR I 63 25.951−34.718 −34.900 1.00 64.40 MOL3 C ATOM 12425 CG TYR I 63 27.435 −34.834−35.112 1.00 60.52 MOL3 C ATOM 12426 CD1 TYR I 63 28.307 −34.775 −34.0411.00 60.25 MOL3 C ATOM 12427 CE1 TYR I 63 29.645 −34.968 −34.205 1.0064.80 MOL3 C ATOM 12428 CD2 TYR I 63 27.953 −35.083 −36.368 1.00 61.44MOL3 C ATOM 12429 CE2 TYR I 63 29.298 −35.280 −36.546 1.00 70.48 MOL3 CATOM 12430 CZ TYR I 63 30.142 −35.226 −35.455 1.00 70.11 MOL3 C ATOM12431 OH TYR I 63 31.491 −35.467 −35.605 1.00 81.28 MOL3 O ATOM 12432 CTYR I 63 25.851 −36.918 −33.697 1.00 57.17 MOL3 C ATOM 12433 O TYR I 6325.805 −36.549 −32.529 1.00 59.51 MOL3 O ATOM 12434 N PRO I 64 26.399−38.081 −34.052 1.00 54.16 MOL3 N ATOM 12435 CD PRO I 64 27.073 −39.001−33.124 1.00 60.20 MOL3 C ATOM 12436 CA PRO I 64 26.456 −38.585 −35.4231.00 56.37 MOL3 C ATOM 12437 CB PRO I 64 27.402 −39.777 −35.309 1.0062.30 MOL3 C ATOM 12438 CG PRO I 64 27.140 −40.277 −33.933 1.00 62.78MOL3 C ATOM 12439 C PRO I 64 25.081 −38.973 −35.959 1.00 56.35 MOL3 CATOM 12440 O PRO I 64 24.187 −39.324 −35.189 1.00 47.16 MOL3 O ATOM12441 N SER I 65 24.925 −38.902 −37.282 1.00 58.87 MOL3 N ATOM 12442 CASER I 65 23.662 −39.223 −37.935 1.00 58.52 MOL3 C ATOM 12443 CB SER I 6523.677 −38.729 −39.372 1.00 61.77 MOL3 C ATOM 12444 OG SER I 65 24.803−39.262 −40.056 1.00 78.46 MOL3 O ATOM 12445 C SER I 65 23.354 −40.710−37.908 1.00 60.17 MOL3 C ATOM 12446 O SER I 65 22.210 −41.098 −37.6961.00 61.52 MOL3 O ATOM 12447 N GLU I 66 24.355 −41.552 −38.135 1.0062.60 MOL3 N ATOM 12448 CA GLU I 66 24.111 −42.987 −38.092 1.00 60.91MOL3 C ATOM 12449 CB GLU I 66 24.940 −43.722 −39.148 1.00 69.71 MOL3 CATOM 12450 CG GLU I 66 24.199 −43.996 −40.438 1.00 87.37 MOL3 C ATOM12451 CD GLU I 66 25.015 −44.826 −41.420 1.00 101.15 MOL3 C ATOM 12452OE1 GLU I 66 24.461 −45.203 −42.482 1.00 106.35 MOL3 O ATOM 12453 OE2GLU I 66 26.207 −45.099 −41.131 1.00 102.75 MOL3 O ATOM 12454 C GLU I 6624.449 −43.529 −36.715 1.00 57.38 MOL3 C ATOM 12455 O GLU I 66 25.476−43.172 −36.121 1.00 57.75 MOL3 O ATOM 12456 N VAL I 67 23.562 −44.366−36.192 1.00 50.57 MOL3 N ATOM 12457 CA VAL I 67 23.791 −44.995 −34.8961.00 52.97 MOL3 C ATOM 12458 CB VAL I 67 22.824 −44.501 −33.808 1.0049.35 MOL3 C ATOM 12459 CG1 VAL I 67 23.160 −45.182 −32.498 1.00 45.91MOL3 C ATOM 12460 CG2 VAL I 67 22.947 −43.010 −33.634 1.00 51.36 MOL3 CATOM 12461 C VAL I 67 23.585 −46.489 −35.074 1.00 51.44 MOL3 C ATOM12462 O VAL I 67 22.486 −46.940 −35.371 1.00 41.82 MOL3 O ATOM 12463 NVAL I 68 24.648 −47.251 −34.878 1.00 52.20 MOL3 N ATOM 12464 CA VAL I 6824.579 −48.676 −35.072 1.00 52.82 MOL3 C ATOM 12465 CB VAL I 68 25.814−49.132 −35.834 1.00 54.27 MOL3 C ATOM 12466 CG1 VAL I 68 25.583 −50.485−36.462 1.00 57.06 MOL3 C ATOM 12467 CG2 VAL I 68 26.162 −48.097 −36.8651.00 53.35 MOL3 C ATOM 12468 C VAL I 68 24.478 −49.449 −33.768 1.0055.29 MOL3 C ATOM 12469 O VAL I 68 25.310 −49.277 −32.867 1.00 57.52MOL3 O ATOM 12470 N GLN I 69 23.456 −50.305 −33.696 1.00 51.88 MOL3 NATOM 12471 CA GLN I 69 23.185 −51.160 −32.541 1.00 46.59 MOL3 C ATOM12472 CB GLN I 69 21.748 −50.962 −32.073 1.00 37.10 MOL3 C ATOM 12473 CGGLN I 69 21.416 −49.586 −31.518 1.00 40.21 MOL3 C ATOM 12474 CD GLN I 6921.661 −49.476 −30.031 1.00 45.80 MOL3 C ATOM 12475 OE1 GLN I 69 21.584−50.467 −29.305 1.00 62.60 MOL3 O ATOM 12476 NE2 GLN I 69 21.930 −48.268−29.561 1.00 41.98 MOL3 N ATOM 12477 C GLN I 69 23.381 −52.628 −32.9291.00 48.53 MOL3 C ATOM 12478 O GLN I 69 22.961 −53.053 −34.001 1.0051.42 MOL3 O ATOM 12479 N ALA I 70 24.012 −53.398 −32.050 1.00 49.34MOL3 N ATOM 12480 CA ALA I 70 24.258 −54.813 −32.301 1.00 50.49 MOL3 CATOM 12481 CB ALA I 70 25.625 −55.183 −31.774 1.00 48.62 MOL3 C ATOM12482 C ALA I 70 23.193 −55.664 −31.614 1.00 53.01 MOL3 C ATOM 12483 OALA I 70 22.481 −55.171 −30.751 1.00 62.67 MOL3 O ATOM 12484 N GLN I 7123.088 −56.938 −31.986 1.00 49.41 MOL3 N ATOM 12485 CA GLN I 71 22.113−57.850 −31.383 1.00 40.42 MOL3 C ATOM 12486 CB GLN I 71 20.849 −57.890−32.222 1.00 39.93 MOL3 C ATOM 12487 CG GLN I 71 20.362 −56.569 −32.7541.00 58.72 MOL3 C ATOM 12488 CD GLN I 71 19.086 −56.745 −33.573 1.0078.54 MOL3 C ATOM 12489 OE1 GLN I 71 19.117 −57.265 −34.696 1.00 83.05MOL3 O ATOM 12490 NE2 GLN I 71 17.950 −56.333 −33.002 1.00 85.90 MOL3 NATOM 12491 C GLN I 71 22.694 −59.258 −31.376 1.00 38.43 MOL3 C ATOM12492 O GLN I 71 22.920 −59.810 −32.438 1.00 42.21 MOL3 O ATOM 12493 NCYS I 72 22.919 −59.860 −30.213 1.00 33.54 MOL3 N ATOM 12494 CA CYS I 7223.493 −61.200 −30.200 1.00 36.75 MOL3 C ATOM 12495 C CYS I 72 22.672−62.169 −31.069 1.00 43.44 MOL3 C ATOM 12496 O CYS I 72 21.465 −62.270−30.915 1.00 43.06 MOL3 O ATOM 12497 CB CYS I 72 23.594 −61.693 −28.7621.00 38.34 MOL3 C ATOM 12498 SG CYS I 72 24.419 −60.497 −27.654 1.0051.35 MOL3 S ATOM 12499 N ARG I 73 23.328 −62.877 −31.988 1.00 51.34MOL3 N ATOM 12500 CA ARG I 73 22.626 −63.796 −32.875 1.00 52.99 MOL3 CATOM 12501 CB ARG I 73 23.491 −64.095 −34.099 1.00 53.47 MOL3 C ATOM12502 CG ARG I 73 23.371 −63.034 −35.193 1.00 60.70 MOL3 C ATOM 12503 CDARG I 73 24.257 −63.334 −36.405 1.00 74.71 MOL3 C ATOM 12504 NE ARG I 7323.847 −64.525 −37.149 1.00 86.48 MOL3 N ATOM 12505 CZ ARG I 73 22.843−64.563 −38.024 1.00 93.95 MOL3 C ATOM 12506 NH1 ARG I 73 22.134 −63.468−38.273 1.00 93.66 MOL3 N ATOM 12507 NH2 ARG I 73 22.548 −65.698 −38.6541.00 97.47 MOL3 N ATOM 12508 C ARG I 73 22.102 −65.096 −32.251 1.0057.97 MOL3 C ATOM 12509 O ARG I 73 21.099 −65.649 −32.725 1.00 58.89MOL3 O ATOM 12510 N ASN I 74 22.752 −65.582 −31.195 1.00 59.16 MOL3 NATOM 12511 CA ASN I 74 22.302 −66.808 −30.534 1.00 61.20 MOL3 C ATOM12512 CB ASN I 74 23.227 −67.983 −30.874 1.00 63.33 MOL3 C ATOM 12513 CGASN I 74 23.230 −68.319 −32.355 1.00 71.09 MOL3 C ATOM 12514 OD1 ASN I74 24.001 −67.757 −33.132 1.00 76.52 MOL3 O ATOM 12515 ND2 ASN I 7422.353 −69.233 −32.756 1.00 79.30 MOL3 N ATOM 12516 C ASN I 74 22.258−66.640 −29.023 1.00 61.32 MOL3 C ATOM 12517 O ASN I 74 22.634 −65.597−28.500 1.00 63.19 MOL3 O ATOM 12518 N LEU I 75 21.794 −67.660 −28.3141.00 59.20 MOL3 N ATOM 12519 CA LEU I 75 21.755 −67.563 −26.870 1.0058.57 MOL3 C ATOM 12520 CB LEU I 75 20.537 −68.281 −26.320 1.00 61.07MOL3 C ATOM 12521 CG LEU I 75 19.208 −67.574 −26.554 1.00 62.75 MOL3 CATOM 12522 CD1 LEU I 75 18.094 −68.272 −25.784 1.00 63.42 MOL3 C ATOM12523 CD2 LEU I 75 19.336 −66.145 −26.088 1.00 69.62 MOL3 C ATOM 12524 CLEU I 75 23.028 −68.151 −26.284 1.00 65.13 MOL3 C ATOM 12525 O LEU I 7523.575 −67.620 −25.324 1.00 64.76 MOL3 O ATOM 12526 N GLY I 76 23.502−69.251 −26.863 1.00 69.53 MOL3 N ATOM 12527 CA GLY I 76 24.730 −69.860−26.377 1.00 75.95 MOL3 C ATOM 12528 C GLY I 76 25.887 −69.348 −27.2181.00 78.77 MOL3 C ATOM 12529 O GLY I 76 25.741 −68.340 −27.899 1.0080.97 MOL3 O ATOM 12530 N CYS I 77 27.037 −70.017 −27.170 1.00 80.93MOL3 N ATOM 12531 CA CYS I 77 28.182 −69.603 −27.977 1.00 80.29 MOL3 CATOM 12532 C CYS I 77 28.372 −70.666 −29.036 1.00 82.30 MOL3 C ATOM12533 O CYS I 77 27.714 −71.702 −29.005 1.00 85.65 MOL3 O ATOM 12534 CBCYS I 77 29.436 −69.457 −27.114 1.00 76.04 MOL3 C ATOM 12535 SG CYS I 7729.104 −68.363 −25.697 1.00 92.75 MOL3 S ATOM 12536 N ILE I 78 29.269−70.413 −29.975 1.00 86.64 MOL3 N ATOM 12537 CA ILE I 78 29.518 −71.349−31.060 1.00 91.28 MOL3 C ATOM 12538 CB ILE I 78 29.297 −70.624 −32.3851.00 83.06 MOL3 C ATOM 12539 CG2 ILE I 78 29.815 −71.450 −33.536 1.0081.37 MOL3 C ATOM 12540 CG1 ILE I 78 27.815 −70.282 −32.515 1.00 75.71MOL3 C ATOM 12541 CD1 ILE I 78 27.472 −69.576 −33.795 1.00 79.68 MOL3 CATOM 12542 C ILE I 78 30.921 −71.973 −31.023 1.00 100.86 MOL3 C ATOM12543 O ILE I 78 31.894 −71.298 −30.694 1.00 102.48 MOL3 O ATOM 12544 NASN I 79 31.018 −73.262 −31.351 1.00 111.20 MOL3 N ATOM 12545 CA ASN I79 32.303 −73.962 −31.356 1.00 121.64 MOL3 C ATOM 12546 CB ASN I 7932.139 −75.397 −30.839 1.00 129.98 MOL3 C ATOM 12547 CG ASN I 79 32.170−75.485 −29.314 1.00 139.44 MOL3 C ATOM 12548 OD1 ASN I 79 33.107−75.005 −28.667 1.00 142.26 MOL3 O ATOM 12549 ND2 ASN I 79 31.148−76.111 −28.737 1.00 142.57 MOL3 N ATOM 12550 C ASN I 79 32.934 −74.003−32.746 1.00 123.95 MOL3 C ATOM 12551 O ASN I 79 32.720 −73.106 −33.5621.00 123.14 MOL3 O ATOM 12552 N ALA I 80 33.724 −75.044 −32.997 1.00127.12 MOL3 N ATOM 12553 CA ALA I 80 34.384 −75.220 −34.285 1.00 131.19MOL3 C ATOM 12554 CB ALA I 80 35.306 −76.430 −34.238 1.00 130.77 MOL3 CATOM 12555 C ALA I 80 33.308 −75.412 −35.348 1.00 133.79 MOL3 C ATOM12556 O ALA I 80 33.173 −76.490 −35.933 1.00 130.81 MOL3 O ATOM 12557 NGLN I 81 32.546 −74.347 −35.582 1.00 137.91 MOL3 N ATOM 12558 CA GLN I81 31.453 −74.349 −36.545 1.00 141.10 MOL3 C ATOM 12559 CB GLN I 8131.984 −74.637 −37.957 1.00 144.01 MOL3 C ATOM 12560 CG GLN I 81 32.170−73.385 −38.827 1.00 146.30 MOL3 C ATOM 12561 CD GLN I 81 33.159 −72.368−38.252 1.00 148.19 MOL3 C ATOM 12562 OE1 GLN I 81 33.254 −71.239−38.741 1.00 147.01 MOL3 O ATOM 12563 NE2 GLN I 81 33.900 −72.767−37.221 1.00 146.34 MOL3 N ATOM 12564 C GLN I 81 30.416 −75.388 −36.1301.00 139.64 MOL3 C ATOM 12565 O GLN I 81 29.576 −75.802 −36.927 1.00140.30 MOL3 O ATOM 12566 N GLY I 82 30.473 −75.783 −34.861 1.00 137.81MOL3 N ATOM 12567 CA GLY I 82 29.551 −76.784 −34.354 1.00 135.11 MOL3 CATOM 12568 C GLY I 82 28.377 −76.274 −33.539 1.00 129.16 MOL3 C ATOM12569 O GLY I 82 28.085 −76.804 −32.471 1.00 130.23 MOL3 O ATOM 12570 NLYS I 83 27.694 −75.258 −34.050 1.00 122.11 MOL3 N ATOM 12571 CA LYS I83 26.539 −74.677 −33.375 1.00 117.25 MOL3 C ATOM 12572 CB LYS I 8325.254 −75.436 −33.743 1.00 121.48 MOL3 C ATOM 12573 CG LYS I 83 24.451−74.758 −34.864 1.00 128.67 MOL3 C ATOM 12574 CD LYS I 83 23.099 −75.426−35.132 1.00 129.79 MOL3 C ATOM 12575 CE LYS I 83 22.257 −74.616 −36.1291.00 128.95 MOL3 C ATOM 12576 NZ LYS I 83 21.875 −73.259 −35.619 1.00124.03 MOL3 N ATOM 12577 C LYS I 83 26.619 −74.518 −31.856 1.00 112.18MOL3 C ATOM 12578 O LYS I 83 27.612 −74.877 −31.215 1.00 106.52 MOL3 OATOM 12579 N GLU I 84 25.539 −73.963 −31.308 1.00 108.47 MOL3 N ATOM12580 CA GLU I 84 25.384 −73.651 −29.889 1.00 102.61 MOL3 C ATOM 12581CB GLU I 84 23.899 −73.403 −29.565 1.00 104.06 MOL3 C ATOM 12582 CG GLUI 84 23.277 −72.227 −30.315 1.00 110.83 MOL3 C ATOM 12583 CD GLU I 8421.986 −71.716 −29.684 1.00 115.94 MOL3 C ATOM 12584 OE1 GLU I 84 22.013−71.322 −28.499 1.00 114.28 MOL3 O ATOM 12585 OE2 GLU I 84 20.945−71.696 −30.376 1.00 122.04 MOL3 O ATOM 12586 C GLU I 84 25.945 −74.621−28.867 1.00 97.07 MOL3 C ATOM 12587 O GLU I 84 26.056 −75.816 −29.1151.00 101.79 MOL3 O ATOM 12588 N ASP I 85 26.291 −74.075 −27.709 1.0086.77 MOL3 N ATOM 12589 CA ASP I 85 26.805 −74.843 −26.594 1.00 80.76MOL3 C ATOM 12590 CB ASP I 85 28.328 −74.821 −26.583 1.00 88.70 MOL3 CATOM 12591 CG ASP I 85 28.916 −75.526 −25.363 1.00 100.36 MOL3 C ATOM12592 OD1 ASP I 85 30.156 −75.709 −25.315 1.00 105.99 MOL3 O ATOM 12593OD2 ASP I 85 28.141 −75.894 −24.451 1.00 101.76 MOL3 O ATOM 12594 C ASPI 85 26.270 −74.110 −25.389 1.00 76.14 MOL3 C ATOM 12595 O ASP I 8527.017 −73.467 −24.671 1.00 76.99 MOL3 O ATOM 12596 N ILE I 86 24.969−74.212 −25.161 1.00 73.75 MOL3 N ATOM 12597 CA ILE I 86 24.359 −73.487−24.060 1.00 72.05 MOL3 C ATOM 12598 CB ILE I 86 22.878 −73.808 −23.9191.00 74.81 MOL3 C ATOM 12599 CG2 ILE I 86 22.090 −72.495 −24.005 1.0065.53 MOL3 C ATOM 12600 CG1 ILE I 86 22.437 −74.793 −25.013 1.00 78.50MOL3 C ATOM 12601 CD1 ILE I 86 21.899 −74.141 −26.301 1.00 81.27 MOL3 CATOM 12602 C ILE I 86 25.025 −73.598 −22.698 1.00 71.80 MOL3 C ATOM12603 O ILE I 86 24.589 −72.958 −21.741 1.00 67.43 MOL3 O ATOM 12604 NSER I 87 26.083 −74.397 −22.610 1.00 73.02 MOL3 N ATOM 12605 CA SER I 8726.836 −74.532 −21.368 1.00 73.89 MOL3 C ATOM 12606 CB SER I 87 28.135−75.314 −21.632 1.00 74.46 MOL3 C ATOM 12607 OG SER I 87 28.957 −75.400−20.477 1.00 81.93 MOL3 O ATOM 12608 C SER I 87 27.163 −73.103 −20.9291.00 73.31 MOL3 C ATOM 12609 O SER I 87 27.107 −72.767 −19.743 1.0072.96 MOL3 O ATOM 12610 N MET I 88 27.505 −72.276 −21.919 1.00 74.81MOL3 N ATOM 12611 CA MET I 88 27.844 −70.857 −21.741 1.00 70.38 MOL3 CATOM 12612 CB MET I 88 29.305 −70.574 −22.080 1.00 74.17 MOL3 C ATOM12613 CG MET I 88 30.330 −71.152 −21.147 1.00 81.15 MOL3 C ATOM 12614 SDMET I 88 31.915 −71.043 −21.968 1.00 89.06 MOL3 S ATOM 12615 CE MET I 8831.469 −71.803 −23.597 1.00 70.24 MOL3 C ATOM 12616 C MET I 88 27.018−70.075 −22.740 1.00 64.86 MOL3 C ATOM 12617 O MET I 88 26.720 −70.569−23.825 1.00 63.49 MOL3 O ATOM 12618 N ASN I 89 26.661 −68.848 −22.3971.00 58.50 MOL3 N ATOM 12619 CA ASN I 89 25.880 −68.057 −23.325 1.0055.53 MOL3 C ATOM 12620 CB ASN I 89 24.555 −67.628 −22.706 1.00 53.36MOL3 C ATOM 12621 CG ASN I 89 24.358 −68.176 −21.329 1.00 60.59 MOL3 CATOM 12622 OD1 ASN I 89 24.825 −67.608 −20.328 1.00 66.90 MOL3 O ATOM12623 ND2 ASN I 89 23.668 −69.301 −21.257 1.00 62.81 MOL3 N ATOM 12624 CASN I 89 26.624 −66.827 −23.783 1.00 53.09 MOL3 C ATOM 12625 O ASN I 8927.581 −66.389 −23.149 1.00 53.14 MOL3 O ATOM 12626 N SER I 90 26.162−66.284 −24.902 1.00 49.09 MOL3 N ATOM 12627 CA SER I 90 26.725 −65.083−25.485 1.00 45.65 MOL3 C ATOM 12628 CB SER I 90 26.618 −65.145 −26.9971.00 47.24 MOL3 C ATOM 12629 OG SER I 90 25.265 −65.214 −27.378 1.0052.52 MOL3 O ATOM 12630 C SER I 90 25.903 −63.917 −24.986 1.00 42.91MOL3 C ATOM 12631 O SER I 90 24.685 −63.965 −25.010 1.00 42.52 MOL3 OATOM 12632 N VAL I 91 26.563 −62.861 −24.543 1.00 47.63 MOL3 N ATOM12633 CA VAL I 91 25.847 −61.697 −24.037 1.00 50.80 MOL3 C ATOM 12634 CBVAL I 91 25.992 −61.626 −22.520 1.00 50.09 MOL3 C ATOM 12635 CG1 VAL I91 25.693 −62.988 −21.937 1.00 52.59 MOL3 C ATOM 12636 CG2 VAL I 9127.388 −61.185 −22.150 1.00 49.22 MOL3 C ATOM 12637 C VAL I 91 26.295−60.369 −24.668 1.00 48.91 MOL3 C ATOM 12638 O VAL I 91 27.444 −60.208−25.076 1.00 48.59 MOL3 O ATOM 12639 N PRO I 92 25.382 −59.393 −24.7381.00 47.27 MOL3 N ATOM 12640 CD PRO I 92 24.039 −59.367 −24.130 1.0050.11 MOL3 C ATOM 12641 CA PRO I 92 25.686 −58.093 −25.320 1.00 47.17MOL3 C ATOM 12642 CB PRO I 92 24.312 −57.459 −25.445 1.00 43.77 MOL3 CATOM 12643 CG PRO I 92 23.671 −57.885 −24.194 1.00 41.60 MOL3 C ATOM12644 C PRO I 92 26.580 −57.252 −24.442 1.00 47.20 MOL3 C ATOM 12645 OPRO I 92 26.537 −57.365 −23.220 1.00 36.30 MOL3 O ATOM 12646 N ILE I 9327.379 −56.407 −25.092 1.00 54.33 MOL3 N ATOM 12647 CA ILE I 93 28.262−55.461 −24.416 1.00 58.28 MOL3 C ATOM 12648 CB ILE I 93 29.698 −55.563−24.892 1.00 59.93 MOL3 C ATOM 12649 CG2 ILE I 93 30.502 −54.448 −24.2871.00 60.89 MOL3 C ATOM 12650 CG1 ILE I 93 30.290 −56.893 −24.456 1.0063.13 MOL3 C ATOM 12651 CD1 ILE I 93 31.745 −57.019 −24.789 1.00 73.89MOL3 C ATOM 12652 C ILE I 93 27.724 −54.087 −24.795 1.00 54.71 MOL3 CATOM 12653 O ILE I 93 27.652 −53.741 −25.975 1.00 48.66 MOL3 O ATOM12654 N GLN I 94 27.340 −53.308 −23.794 1.00 50.70 MOL3 N ATOM 12655 CAGLN I 94 26.762 −52.009 −24.069 1.00 54.91 MOL3 C ATOM 12656 CB GLN I 9425.367 −51.937 −23.464 1.00 50.69 MOL3 C ATOM 12657 CG GLN I 94 24.405−52.955 −24.040 1.00 49.22 MOL3 C ATOM 12658 CD GLN I 94 23.249 −53.248−23.107 1.00 50.77 MOL3 C ATOM 12659 OE1 GLN I 94 22.247 −53.833 −23.5081.00 57.54 MOL3 O ATOM 12660 NE2 GLN I 94 23.390 −52.854 −21.850 1.0048.35 MOL3 N ATOM 12661 C GLN I 94 27.598 −50.854 −23.566 1.00 60.57MOL3 C ATOM 12662 O GLN I 94 28.312 −50.972 −22.573 1.00 69.65 MOL3 OATOM 12663 N GLN I 95 27.503 −49.730 −24.264 1.00 60.06 MOL3 N ATOM12664 CA GLN I 95 28.251 −48.539 −23.905 1.00 60.79 MOL3 C ATOM 12665 CBGLN I 95 29.437 −48.361 −24.856 1.00 66.04 MOL3 C ATOM 12666 CG GLN I 9530.196 −47.060 −24.673 1.00 83.53 MOL3 C ATOM 12667 CD GLN I 95 30.731−46.903 −23.258 1.00 95.07 MOL3 C ATOM 12668 OE1 GLN I 95 31.208 −45.828−22.868 1.00 96.45 MOL3 O ATOM 12669 NE2 GLN I 95 30.658 −47.981 −22.4801.00 98.63 MOL3 N ATOM 12670 C GLN I 95 27.332 −47.339 −24.011 1.0061.87 MOL3 C ATOM 12671 O GLN I 95 26.599 −47.206 −24.995 1.00 57.72MOL3 O ATOM 12672 N GLU I 96 27.349 −46.478 −22.997 1.00 61.98 MOL3 NATOM 12673 CA GLU I 96 26.510 −45.292 −23.039 1.00 65.81 MOL3 C ATOM12674 CB GLU I 96 26.145 −44.818 −21.625 1.00 78.65 MOL3 C ATOM 12675 CGGLU I 96 27.317 −44.392 −20.736 1.00 102.84 MOL3 C ATOM 12676 CD GLU I96 27.760 −42.943 −20.959 1.00 111.84 MOL3 C ATOM 12677 OE1 GLU I 9628.603 −42.446 −20.171 1.00 115.81 MOL3 O ATOM 12678 OE2 GLU I 96 27.270−42.303 −21.918 1.00 114.58 MOL3 O ATOM 12679 C GLU I 96 27.291 −44.234−23.797 1.00 59.47 MOL3 C ATOM 12680 O GLU I 96 28.472 −44.014 −23.5451.00 52.75 MOL3 O ATOM 12681 N THR I 97 26.630 −43.600 −24.754 1.0057.04 MOL3 N ATOM 12682 CA THR I 97 27.271 −42.586 −25.563 1.00 59.66MOL3 C ATOM 12683 CB THR I 97 27.456 −43.061 −27.012 1.00 63.08 MOL3 CATOM 12684 OG1 THR I 97 27.994 −41.991 −27.807 1.00 75.09 MOL3 O ATOM12685 CG2 THR I 97 26.132 −43.476 −27.600 1.00 50.30 MOL3 C ATOM 12686 CTHR I 97 26.451 −41.318 −25.619 1.00 60.19 MOL3 C ATOM 12687 O THR I 9725.284 −41.305 −25.246 1.00 59.18 MOL3 O ATOM 12688 N LEU I 98 27.074−40.256 −26.114 1.00 58.80 MOL3 N ATOM 12689 CA LEU I 98 26.417 −38.976−26.254 1.00 52.73 MOL3 C ATOM 12690 CB LEU I 98 27.294 −37.890 −25.6711.00 54.84 MOL3 C ATOM 12691 CG LEU I 98 26.509 −36.935 −24.800 1.0056.72 MOL3 C ATOM 12692 CD1 LEU I 98 25.325 −37.702 −24.277 1.00 60.24MOL3 C ATOM 12693 CD2 LEU I 98 27.382 −36.386 −23.660 1.00 47.65 MOL3 CATOM 12694 C LEU I 98 26.195 −38.698 −27.721 1.00 56.10 MOL3 C ATOM12695 O LEU I 98 26.981 −39.116 −28.576 1.00 61.32 MOL3 O ATOM 12696 NVAL I 99 25.108 −38.008 −28.016 1.00 55.60 MOL3 N ATOM 12697 CA VAL I 9924.800 −37.643 −29.393 1.00 59.48 MOL3 C ATOM 12698 CB VAL I 99 23.783−38.589 −30.029 1.00 52.31 MOL3 C ATOM 12699 CG1 VAL I 99 24.341 −39.985−30.065 1.00 46.88 MOL3 C ATOM 12700 CG2 VAL I 99 22.475 −38.512 −29.2671.00 43.72 MOL3 C ATOM 12701 C VAL I 99 24.180 −36.263 −29.306 1.0063.19 MOL3 C ATOM 12702 O VAL I 99 23.772 −35.841 −28.229 1.00 64.00MOL3 O ATOM 12703 N VAL I 100 24.113 −35.544 −30.417 1.00 64.84 MOL3 NATOM 12704 CA VAL I 100 23.516 −34.230 −30.349 1.00 64.62 MOL3 C ATOM12705 CB VAL I 100 24.520 −33.140 −30.701 1.00 66.60 MOL3 C ATOM 12706CG1 VAL I 100 23.852 −31.780 −30.594 1.00 59.29 MOL3 C ATOM 12707 CG2VAL I 100 25.724 −33.234 −29.767 1.00 65.89 MOL3 C ATOM 12708 C VAL I100 22.319 −34.126 −31.259 1.00 69.08 MOL3 C ATOM 12709 O VAL I 10022.312 −34.691 −32.364 1.00 68.87 MOL3 O ATOM 12710 N ARG I 101 21.295−33.429 −30.763 1.00 71.73 MOL3 N ATOM 12711 CA ARG I 101 20.058 −33.213−31.508 1.00 79.13 MOL3 C ATOM 12712 CB ARG I 101 18.830 −33.495 −30.6511.00 73.61 MOL3 C ATOM 12713 CG ARG I 101 18.430 −34.937 −30.677 1.0082.98 MOL3 C ATOM 12714 CD ARG I 101 16.944 −35.123 −30.463 1.00 92.97MOL3 C ATOM 12715 NE ARG I 101 16.550 −36.484 −30.810 1.00 103.33 MOL3 NATOM 12716 CZ ARG I 101 16.804 −37.055 −31.986 1.00 108.63 MOL3 C ATOM12717 NH1 ARG I 101 17.448 −36.379 −32.931 1.00 110.19 MOL3 N ATOM 12718NH2 ARG I 101 16.426 −38.308 −32.219 1.00 113.00 MOL3 N ATOM 12719 C ARGI 101 19.978 −31.789 −32.004 1.00 84.87 MOL3 C ATOM 12720 O ARG I 10120.271 −30.854 −31.267 1.00 84.77 MOL3 O ATOM 12721 N ARG I 102 19.580−31.638 −33.261 1.00 91.94 MOL3 N ATOM 12722 CA ARG I 102 19.451 −30.335−33.890 1.00 99.79 MOL3 C ATOM 12723 CB ARG I 102 19.955 −30.409 −35.3391.00 104.81 MOL3 C ATOM 12724 CG ARG I 102 19.914 −29.096 −36.111 1.00112.01 MOL3 C ATOM 12725 CD ARG I 102 20.666 −29.184 −37.445 1.00 118.63MOL3 C ATOM 12726 NE ARG I 102 19.903 −29.846 −38.504 1.00 127.04 MOL3 NATOM 12727 CZ ARG I 102 20.370 −30.068 −39.732 1.00 131.04 MOL3 C ATOM12728 NH1 ARG I 102 21.601 −29.683 −40.051 1.00 133.41 MOL3 N ATOM 12729NH2 ARG I 102 19.609 −30.664 −40.646 1.00 128.01 MOL3 N ATOM 12730 C ARGI 102 17.976 −29.971 −33.864 1.00 105.49 MOL3 C ATOM 12731 O ARG I 10217.241 −30.310 −34.788 1.00 109.22 MOL3 O ATOM 12732 N LYS I 103 17.545−29.291 −32.802 1.00 111.48 MOL3 N ATOM 12733 CA LYS I 103 16.146−28.885 −32.643 1.00 117.54 MOL3 C ATOM 12734 CB LYS I 103 15.833−28.638 −31.160 1.00 114.22 MOL3 C ATOM 12735 CG LYS I 103 15.448−29.891 −30.377 1.00 117.65 MOL3 C ATOM 12736 CD LYS I 103 15.551−29.689 −28.866 1.00 120.97 MOL3 C ATOM 12737 CE LYS I 103 14.681−28.538 −28.376 1.00 128.40 MOL3 C ATOM 12738 NZ LYS I 103 14.856−28.264 −26.912 1.00 132.06 MOL3 N ATOM 12739 C LYS I 103 15.766 −27.644−33.451 1.00 123.80 MOL3 C ATOM 12740 O LYS I 103 16.535 −26.684 −33.5321.00 123.83 MOL3 O ATOM 12741 N HIS I 104 14.571 −27.673 −34.041 1.00130.52 MOL3 N ATOM 12742 CA HIS I 104 14.047 −26.564 −34.845 1.00 134.60MOL3 C ATOM 12743 CB HIS I 104 14.198 −25.242 −34.097 1.00 130.27 MOL3 CATOM 12744 CG HIS I 104 13.721 −25.292 −32.684 1.00 128.01 MOL3 C ATOM12745 CD2 HIS I 104 12.613 −25.843 −32.136 1.00 128.00 MOL3 C ATOM 12746ND1 HIS I 104 14.426 −24.728 −31.644 1.00 128.90 MOL3 N ATOM 12747 CE1HIS I 104 13.774 −24.931 −30.513 1.00 129.69 MOL3 C ATOM 12748 NE2 HIS I104 12.670 −25.605 −30.784 1.00 129.66 MOL3 N ATOM 12749 C HIS I 10414.737 −26.432 −36.199 1.00 139.28 MOL3 C ATOM 12750 O HIS I 104 15.706−27.138 −36.492 1.00 139.83 MOL3 O ATOM 12751 N GLN I 105 14.238 −25.501−37.011 1.00 142.80 MOL3 N ATOM 12752 CA GLN I 105 14.777 −25.262−38.347 1.00 145.64 MOL3 C ATOM 12753 CB GLN I 105 13.723 −25.624−39.406 1.00 147.69 MOL3 C ATOM 12754 CG GLN I 105 13.031 −26.985−39.232 1.00 151.62 MOL3 C ATOM 12755 CD GLN I 105 11.997 −27.015−38.106 1.00 152.19 MOL3 C ATOM 12756 OE1 GLN I 105 11.128 −26.144−38.018 1.00 153.16 MOL3 O ATOM 12757 NE2 GLN I 105 12.078 −28.035−37.251 1.00 150.44 MOL3 N ATOM 12758 C GLN I 105 15.187 −23.799 −38.5501.00 145.76 MOL3 C ATOM 12759 O GLN I 105 14.914 −22.940 −37.708 1.00145.60 MOL3 O ATOM 12760 N GLY I 106 15.839 −23.529 −39.679 1.00 145.04MOL3 N ATOM 12761 CA GLY I 106 16.251 −22.174 −40.002 1.00 144.36 MOL3 CATOM 12762 C GLY I 106 17.161 −21.468 −39.013 1.00 143.06 MOL3 C ATOM12763 O GLY I 106 18.148 −22.034 −38.552 1.00 142.81 MOL3 O ATOM 12764 NCYS I 107 16.815 −20.221 −38.699 1.00 142.79 MOL3 N ATOM 12765 CA CYS I107 17.573 −19.367 −37.780 1.00 143.20 MOL3 C ATOM 12766 C CYS I 10717.387 −19.764 −36.331 1.00 140.21 MOL3 C ATOM 12767 O CYS I 107 18.243−19.505 −35.482 1.00 138.31 MOL3 O ATOM 12768 CB CYS I 107 17.098−17.915 −37.891 1.00 148.55 MOL3 C ATOM 12769 SG CYS I 107 17.213−17.129 −39.526 1.00 155.31 MOL3 S ATOM 12770 N SER I 108 16.234 −20.351−36.050 1.00 138.28 MOL3 N ATOM 12771 CA SER I 108 15.896 −20.757−34.694 1.00 138.03 MOL3 C ATOM 12772 CB SER I 108 14.376 −20.692−34.511 1.00 138.19 MOL3 C ATOM 12773 OG SER I 108 13.704 −21.114−35.689 1.00 138.08 MOL3 O ATOM 12774 C SER I 108 16.422 −22.147 −34.3381.00 136.26 MOL3 C ATOM 12775 O SER I 108 15.731 −22.939 −33.695 1.00137.24 MOL3 O ATOM 12776 N VAL I 109 17.661 −22.422 −34.734 1.00 132.37MOL3 N ATOM 12777 CA VAL I 109 18.282 −23.717 −34.484 1.00 126.45 MOL3 CATOM 12778 CB VAL I 109 19.198 −24.112 −35.670 1.00 125.21 MOL3 C ATOM12779 CG1 VAL I 109 20.443 −23.251 −35.675 1.00 126.29 MOL3 C ATOM 12780CG2 VAL I 109 19.562 −25.574 −35.588 1.00 127.65 MOL3 C ATOM 12781 C VALI 109 19.085 −23.796 −33.179 1.00 123.63 MOL3 C ATOM 12782 O VAL I 10919.935 −22.946 −32.890 1.00 120.91 MOL3 O ATOM 12783 N SER I 110 18.796−24.832 −32.395 1.00 119.29 MOL3 N ATOM 12784 CA SER I 110 19.472−25.071 −31.125 1.00 112.29 MOL3 C ATOM 12785 CB SER I 110 18.498−24.893 −29.965 1.00 112.58 MOL3 C ATOM 12786 OG SER I 110 17.440−25.831 −30.066 1.00 113.59 MOL3 O ATOM 12787 C SER I 110 19.986 −26.500−31.121 1.00 107.33 MOL3 C ATOM 12788 O SER I 110 19.546 −27.326 −31.9211.00 108.34 MOL3 O ATOM 12789 N PHE I 111 20.911 −26.793 −30.216 1.0098.83 MOL3 N ATOM 12790 CA PHE I 111 21.464 −28.130 −30.125 1.00 91.59MOL3 C ATOM 12791 CB PHE I 111 22.898 −28.120 −30.609 1.00 88.41 MOL3 CATOM 12792 CG PHE I 111 23.027 −27.698 −32.027 1.00 88.39 MOL3 C ATOM12793 CD1 PHE I 111 22.015 −27.971 −32.925 1.00 87.43 MOL3 C ATOM 12794CD2 PHE I 111 24.159 −27.059 −32.478 1.00 91.02 MOL3 C ATOM 12795 CE1PHE I 111 22.124 −27.620 −34.242 1.00 87.09 MOL3 C ATOM 12796 CE2 PHE I111 24.276 −26.703 −33.805 1.00 94.27 MOL3 C ATOM 12797 CZ PHE I 11123.255 −26.985 −34.688 1.00 92.34 MOL3 C ATOM 12798 C PHE I 111 21.392−28.668 −28.716 1.00 89.67 MOL3 C ATOM 12799 O PHE I 111 21.721 −27.966−27.768 1.00 89.13 MOL3 O ATOM 12800 N GLN I 112 20.948 −29.913 −28.5761.00 88.62 MOL3 N ATOM 12801 CA GLN I 112 20.847 −30.521 −27.257 1.0085.20 MOL3 C ATOM 12802 CB GLN I 112 19.372 −30.648 −26.857 1.00 82.76MOL3 C ATOM 12803 CG GLN I 112 19.162 −30.717 −25.349 1.00 88.40 MOL3 CATOM 12804 CD GLN I 112 17.699 −30.676 −24.935 1.00 88.82 MOL3 C ATOM12805 OE1 GLN I 112 17.387 −30.631 −23.742 1.00 88.63 MOL3 O ATOM 12806NE2 GLN I 112 16.797 −30.693 −25.913 1.00 86.67 MOL3 N ATOM 12807 C GLNI 112 21.569 −31.885 −27.191 1.00 84.79 MOL3 C ATOM 12808 O GLN I 11221.588 −32.649 −28.169 1.00 86.05 MOL3 O ATOM 12809 N LEU I 113 22.176−32.165 −26.038 1.00 77.59 MOL3 N ATOM 12810 CA LEU I 113 22.919 −33.406−25.806 1.00 74.68 MOL3 C ATOM 12811 CB LEU I 113 23.962 −33.178 −24.7151.00 72.42 MOL3 C ATOM 12812 CG LEU I 113 25.416 −33.002 −25.129 1.0071.48 MOL3 C ATOM 12813 CD1 LEU I 113 25.477 −32.150 −26.365 1.00 73.62MOL3 C ATOM 12814 CD2 LEU I 113 26.203 −32.377 −23.994 1.00 66.43 MOL3 CATOM 12815 C LEU I 113 22.063 −34.597 −25.384 1.00 74.82 MOL3 C ATOM12816 O LEU I 113 21.606 −34.647 −24.251 1.00 75.69 MOL3 O ATOM 12817 NGLU I 114 21.864 −35.564 −26.275 1.00 77.60 MOL3 N ATOM 12818 CA GLU I114 21.078 −36.751 −25.943 1.00 76.36 MOL3 C ATOM 12819 CB GLU I 11420.248 −37.208 −27.150 1.00 82.69 MOL3 C ATOM 12820 CG GLU I 114 19.266−38.351 −26.848 1.00 93.78 MOL3 C ATOM 12821 CD GLU I 114 18.228 −38.572−27.959 1.00 99.06 MOL3 C ATOM 12822 OE1 GLU I 114 18.585 −39.083−29.045 1.00 98.43 MOL3 O ATOM 12823 OE2 GLU I 114 17.045 −38.224−27.741 1.00 103.13 MOL3 O ATOM 12824 C GLU I 114 22.028 −37.864 −25.5211.00 73.47 MOL3 C ATOM 12825 O GLU I 114 23.185 −37.906 −25.961 1.0073.93 MOL3 O ATOM 12826 N LYS I 115 21.541 −38.761 −24.670 1.00 66.56MOL3 N ATOM 12827 CA LYS I 115 22.353 −39.878 −24.195 1.00 65.32 MOL3 CATOM 12828 CB LYS I 115 22.391 −39.872 −22.669 1.00 60.03 MOL3 C ATOM12829 CG LYS I 115 23.354 −40.869 −22.059 1.00 68.17 MOL3 C ATOM 12830CD LYS I 115 24.048 −40.283 −20.821 1.00 73.57 MOL3 C ATOM 12831 CE LYSI 115 25.054 −41.260 −20.196 1.00 76.98 MOL3 C ATOM 12832 NZ LYS I 11525.885 −40.647 −19.107 1.00 76.99 MOL3 N ATOM 12833 C LYS I 115 21.770−41.194 −24.700 1.00 65.75 MOL3 C ATOM 12834 O LYS I 115 20.613 −41.495−24.433 1.00 73.64 MOL3 O ATOM 12835 N VAL I 116 22.541 −41.976 −25.4491.00 63.54 MOL3 N ATOM 12836 CA VAL I 116 22.005 −43.244 −25.931 1.0060.63 MOL3 C ATOM 12837 CB VAL I 116 21.817 −43.260 −27.455 1.00 56.29MOL3 C ATOM 12838 CG1 VAL I 116 20.851 −42.186 −27.852 1.00 58.71 MOL3 CATOM 12839 CG2 VAL I 116 23.122 −43.055 −28.150 1.00 61.08 MOL3 C ATOM12840 C VAL I 116 22.843 −44.434 −25.521 1.00 61.46 MOL3 C ATOM 12841 OVAL I 116 24.073 −44.355 −25.443 1.00 64.32 MOL3 O ATOM 12842 N LEU I117 22.160 −45.534 −25.230 1.00 59.90 MOL3 N ATOM 12843 CA LEU I 11722.843 −46.747 −24.827 1.00 59.20 MOL3 C ATOM 12844 CB LEU I 117 22.076−47.484 −23.743 1.00 59.79 MOL3 C ATOM 12845 CG LEU I 117 23.098 −48.056−22.763 1.00 64.44 MOL3 C ATOM 12846 CD1 LEU I 117 23.577 −46.912−21.850 1.00 63.43 MOL3 C ATOM 12847 CD2 LEU I 117 22.502 −49.200−21.964 1.00 60.66 MOL3 C ATOM 12848 C LEU I 117 22.952 −47.630 −26.0461.00 57.49 MOL3 C ATOM 12849 O LEU I 117 21.944 −47.996 −26.653 1.0055.99 MOL3 O ATOM 12850 N VAL I 118 24.181 −47.982 −26.387 1.00 52.58MOL3 N ATOM 12851 CA VAL I 118 24.427 −48.784 −27.563 1.00 53.37 MOL3 CATOM 12852 CB VAL I 118 25.419 −48.063 −28.487 1.00 54.52 MOL3 C ATOM12853 CG1 VAL I 118 25.492 −48.767 −29.825 1.00 60.80 MOL3 C ATOM 12854CG2 VAL I 118 25.032 −46.622 −28.643 1.00 52.59 MOL3 C ATOM 12855 C VALI 118 25.001 −50.160 −27.289 1.00 53.89 MOL3 C ATOM 12856 O VAL I 11825.858 −50.346 −26.419 1.00 54.34 MOL3 O ATOM 12857 N THR I 119 24.536−51.120 −28.067 1.00 51.05 MOL3 N ATOM 12858 CA THR I 119 25.013 −52.472−27.956 1.00 54.15 MOL3 C ATOM 12859 CB THR I 119 23.935 −53.438 −28.3681.00 55.88 MOL3 C ATOM 12860 OG1 THR I 119 22.716 −53.099 −27.694 1.0056.94 MOL3 O ATOM 12861 CG2 THR I 119 24.356 −54.845 −28.021 1.00 60.72MOL3 C ATOM 12862 C THR I 119 26.137 −52.552 −28.966 1.00 54.71 MOL3 CATOM 12863 O THR I 119 25.888 −52.667 −30.167 1.00 56.60 MOL3 O ATOM12864 N VAL I 120 27.373 −52.488 −28.492 1.00 52.53 MOL3 N ATOM 12865 CAVAL I 120 28.488 −52.538 −29.408 1.00 48.66 MOL3 C ATOM 12866 CB VAL I120 29.710 −51.959 −28.760 1.00 44.49 MOL3 C ATOM 12867 CG1 VAL I 12030.676 −51.549 −29.819 1.00 56.06 MOL3 C ATOM 12868 CG2 VAL I 120 29.325−50.775 −27.933 1.00 34.75 MOL3 C ATOM 12869 C VAL I 120 28.790 −53.929−29.967 1.00 52.06 MOL3 C ATOM 12870 O VAL I 120 29.355 −54.041 −31.0551.00 53.88 MOL3 O ATOM 12871 N GLY I 121 28.400 −54.979 −29.237 1.0058.06 MOL3 N ATOM 12872 CA GLY I 121 28.622 −56.350 −29.692 1.00 56.05MOL3 C ATOM 12873 C GLY I 121 28.391 −57.392 −28.610 1.00 53.74 MOL3 CATOM 12874 O GLY I 121 27.944 −57.068 −27.511 1.00 54.78 MOL3 O ATOM12875 N CYS I 122 28.702 −58.648 −28.901 1.00 48.59 MOL3 N ATOM 12876 CACYS I 122 28.511 −59.690 −27.909 1.00 48.40 MOL3 C ATOM 12877 C CYS I122 29.792 −60.428 −27.578 1.00 50.48 MOL3 C ATOM 12878 O CYS I 12230.716 −60.498 −28.380 1.00 56.16 MOL3 O ATOM 12879 CB CYS I 122 27.431−60.652 −28.381 1.00 49.75 MOL3 C ATOM 12880 SG CYS I 122 25.924 −59.722−28.788 1.00 53.34 MOL3 S ATOM 12881 N THR I 123 29.847 −60.958 −26.3691.00 50.67 MOL3 N ATOM 12882 CA THR I 123 31.010 −61.679 −25.905 1.0050.35 MOL3 C ATOM 12883 CB THR I 123 31.755 −60.859 −24.858 1.00 48.34MOL3 C ATOM 12884 OG1 THR I 123 32.900 −61.583 −24.393 1.00 58.31 MOL3 OATOM 12885 CG2 THR I 123 30.845 −60.575 −23.699 1.00 43.06 MOL3 C ATOM12886 C THR I 123 30.494 −62.953 −25.272 1.00 52.98 MOL3 C ATOM 12887 OTHR I 123 29.433 −62.957 −24.659 1.00 49.33 MOL3 O ATOM 12888 N CYS I124 31.242 −64.038 −25.418 1.00 58.71 MOL3 N ATOM 12889 CA CYS I 12430.816 −65.302 −24.850 1.00 61.53 MOL3 C ATOM 12890 C CYS I 124 31.202−65.460 −23.391 1.00 59.84 MOL3 C ATOM 12891 O CYS I 124 32.380 −65.512−23.071 1.00 63.22 MOL3 O ATOM 12892 CB CYS I 124 31.410 −66.450 −25.6311.00 66.83 MOL3 C ATOM 12893 SG CYS I 124 30.908 −67.986 −24.839 1.0078.44 MOL3 S ATOM 12894 N VAL I 125 30.216 −65.547 −22.507 1.00 61.41MOL3 N ATOM 12895 CA VAL I 125 30.498 −65.695 −21.084 1.00 61.67 MOL3 CATOM 12896 CB VAL I 125 29.886 −64.548 −20.263 1.00 58.41 MOL3 C ATOM12897 CG1 VAL I 125 30.311 −64.662 −18.819 1.00 61.93 MOL3 C ATOM 12898CG2 VAL I 125 30.320 −63.240 −20.812 1.00 58.88 MOL3 C ATOM 12899 C VALI 125 29.987 −67.007 −20.491 1.00 62.73 MOL3 C ATOM 12900 O VAL I 12529.107 −67.670 −21.046 1.00 62.50 MOL3 O ATOM 12901 N THR I 126 30.566−67.372 −19.356 1.00 61.71 MOL3 N ATOM 12902 CA THR I 126 30.190 −68.573−18.649 1.00 65.19 MOL3 C ATOM 12903 CB THR I 126 31.439 −69.374 −18.1961.00 70.00 MOL3 C ATOM 12904 OG1 THR I 126 31.059 −70.336 −17.204 1.0078.86 MOL3 O ATOM 12905 CG2 THR I 126 32.493 −68.448 −17.609 1.00 74.14MOL3 C ATOM 12906 C THR I 126 29.394 −68.127 −17.433 1.00 61.85 MOL3 CATOM 12907 O THR I 126 29.855 −67.309 −16.639 1.00 58.44 MOL3 O ATOM12908 N PRO I 127 28.169 −68.642 −17.288 1.00 61.14 MOL3 N ATOM 12909 CDPRO I 127 27.499 −69.689 −18.074 1.00 58.06 MOL3 C ATOM 12910 CA PRO I127 27.360 −68.252 −16.139 1.00 61.92 MOL3 C ATOM 12911 CB PRO I 12726.121 −69.131 −16.279 1.00 61.05 MOL3 C ATOM 12912 CG PRO I 127 26.625−70.320 −17.045 1.00 59.93 MOL3 C ATOM 12913 C PRO I 127 28.122 −68.496−14.851 1.00 63.96 MOL3 C ATOM 12914 O PRO I 127 29.046 −69.310 −14.8131.00 63.82 MOL3 O ATOM 12915 N VAL I 128 27.760 −67.765 −13.803 1.0067.46 MOL3 N ATOM 12916 CA VAL I 128 28.418 −67.942 −12.517 1.00 74.09MOL3 C ATOM 12917 CB VAL I 128 28.223 −66.690 −11.592 1.00 67.87 MOL3 CATOM 12918 CG1 VAL I 128 26.783 −66.274 −11.554 1.00 69.54 MOL3 C ATOM12919 CG2 VAL I 128 28.694 −66.985 −10.198 1.00 62.25 MOL3 C ATOM 12920C VAL I 128 27.841 −69.204 −11.880 1.00 84.32 MOL3 C ATOM 12921 O VAL I128 26.761 −69.187 −11.293 1.00 88.97 MOL3 O ATOM 12922 N ILE I 12928.555 −70.315 −12.030 1.00 94.72 MOL3 N ATOM 12923 CA ILE I 129 28.099−71.587 −11.479 1.00 103.85 MOL3 C ATOM 12924 CB ILE I 129 28.755−72.784 −12.216 1.00 102.83 MOL3 C ATOM 12925 CG2 ILE I 129 28.240−74.096 −11.640 1.00 102.03 MOL3 C ATOM 12926 CG1 ILE I 129 28.453−72.704 −13.721 1.00 103.88 MOL3 C ATOM 12927 CD1 ILE I 129 29.165−73.757 −14.581 1.00 99.35 MOL3 C ATOM 12928 C ILE I 129 28.439 −71.665−9.995 1.00 111.48 MOL3 C ATOM 12929 O ILE I 129 27.850 −72.457 −9.2561.00 113.95 MOL3 O ATOM 12930 N HIS I 130 29.373 −70.817 −9.566 1.00118.09 MOL3 N ATOM 12931 CA HIS I 130 29.833 −70.772 −8.179 1.00 123.91MOL3 C ATOM 12932 CB HIS I 130 30.581 −69.464 −7.923 1.00 124.74 MOL3 CATOM 12933 CG HIS I 130 31.614 −69.160 −8.961 1.00 125.86 MOL3 C ATOM12934 CD2 HIS I 130 32.190 −67.994 −9.336 1.00 126.62 MOL3 C ATOM 12935ND1 HIS I 130 32.167 −70.136 −9.763 1.00 125.37 MOL3 N ATOM 12936 CE1HIS I 130 33.036 −69.583 −10.589 1.00 127.54 MOL3 C ATOM 12937 NE2 HIS I130 33.069 −68.284 −10.351 1.00 129.23 MOL3 N ATOM 12938 C HIS I 13028.733 −70.954 −7.144 1.00 127.61 MOL3 C ATOM 12939 O HIS I 130 28.085−69.987 −6.725 1.00 123.05 MOL3 O ATOM 12940 N HIS I 131 28.554 −72.215−6.744 1.00 134.09 MOL3 N ATOM 12941 CA HIS I 131 27.558 −72.646 −5.7611.00 139.89 MOL3 C ATOM 12942 CB HIS I 131 28.219 −72.781 −4.381 1.00142.14 MOL3 C ATOM 12943 CG HIS I 131 27.313 −73.340 −3.326 1.00 146.96MOL3 C ATOM 12944 CD2 HIS I 131 27.059 −72.932 −2.060 1.00 148.14 MOL3 CATOM 12945 ND1 HIS I 131 26.543 −74.466 −3.527 1.00 148.76 MOL3 N ATOM12946 CE1 HIS I 131 25.854 −74.728 −2.430 1.00 148.98 MOL3 C ATOM 12947NE2 HIS I 131 26.149 −73.812 −1.525 1.00 149.64 MOL3 N ATOM 12948 C HISI 131 26.328 −71.737 −5.674 1.00 141.32 MOL3 C ATOM 12949 O HIS I 13125.507 −71.683 −6.597 1.00 141.72 MOL3 O ATOM 12950 N VAL I 132 26.201−71.037 −4.552 1.00 139.78 MOL3 N ATOM 12951 CA VAL I 132 25.090 −70.126−4.335 1.00 137.25 MOL3 C ATOM 12952 CB VAL I 132 24.201 −70.599 −3.1581.00 136.71 MOL3 C ATOM 12953 CG1 VAL I 132 23.127 −69.569 −2.861 1.00136.10 MOL3 C ATOM 12954 CG2 VAL I 132 23.550 −71.934 −3.507 1.00 135.48MOL3 C ATOM 12955 C VAL I 132 25.675 −68.750 −4.041 1.00 136.90 MOL3 CATOM 12956 O VAL I 132 25.031 −67.730 −4.281 1.00 140.65 MOL3 O ATOM12957 N GLN I 133 26.904 −68.727 −3.528 1.00 134.50 MOL3 N ATOM 12958 CAGLN I 133 27.590 −67.470 −3.236 1.00 131.12 MOL3 C ATOM 12959 CB GLN I133 28.826 −67.713 −2.347 1.00 127.09 MOL3 C ATOM 12960 CG GLN I 13329.634 −68.970 −2.689 1.00 122.98 MOL3 C ATOM 12961 CD GLN I 133 31.021−68.986 −2.056 1.00 118.67 MOL3 C ATOM 12962 OE1 GLN I 133 31.950−68.339 −2.548 1.00 114.83 MOL3 O ATOM 12963 NE2 GLN I 133 31.165−69.724 −0.956 1.00 114.69 MOL3 N ATOM 12964 C GLN I 133 28.006 −66.794−4.551 1.00 131.31 MOL3 C ATOM 12965 O GLN I 133 27.812 −65.561 −4.6671.00 130.65 MOL3 O ATOM 12966 OXT GLN I 133 28.520 −67.505 −5.451 1.00129.17 MOL3 O END

In further aspect there is provided a crystal structure comprising anepitope as defined herein.

Also provided is a method of generating a three dimensional computerrepresentation employing 10, 20, 30, 40, 50, 60, 70, 80, 90 or 100% ofco-ordinates listed in Table 1.

In one embodiment there is provided a machine readable mediume havingstored thereon data comprising 10, 20, 30, 40, 50, 60, 70, 80, 90 or100% of co-ordinates listed in Table 1.

It will of course be understood that the present invention has beendescribed by way of example only, is in no way meant to be limiting, andthat modifications of detail can be made within the scope of the claimshereinafter. Preferred features of each embodiment of the invention areas for each of the other embodiments mutatis mutandis. All publications,including but not limited to patents and patent applications, cited inthis specification are herein incorporated by reference as if eachindividual publication were specifically and individually indicated tobe incorporated by reference herein as though fully set forth.

The invention claimed is:
 1. A method of treating inflammationassociated with an IL-17A mediated pathological condition in a mammalcomprising the step of administering to the mammal an effective amountof a pharmaceutical composition comprising a monoclonal antibody thatspecifically binds an epitope of human IL-17A, wherein the epitopecomprises residues TYR44, ASN45, TRP51, ASN52 and ASP84 of SEQ ID NO:21, and wherein the monoclonal antibody additionally binds human IL-17F.2. A method of treating inflammation associated with an IL-17A mediatedpathological condition in a mammal comprising administering to themammal an effective amount of a pharmaceutical composition comprising achimeric or humanized antibody that specifically binds an epitope ofhuman IL-17A, wherein the epitope comprises residues TYR44, ASN45,TRP51, ASN52, and ASP84 of SEQ ID NO: 21, and wherein the chimeric orhumanized antibody additionally binds human IL-17F.
 3. The method ofclaim 2, wherein the epitope further comprises one or more of theresidues selected from the group consisting of SER41, ARG46, HIS54,ARG72, HIS73, HIS86, VAL128, HIS129 and VAL131 of SEQ ID NO:
 21. 4. Themethod of claim 2, wherein the epitope does not comprise one or more ofthe amino acid residues selected from the group consisting of ASP80,GLY81 and ASN82 of SEQ ID NO:21.
 5. The method of claim 2, wherein theantibody has a binding affinity for human IL-17A of better than 500 pM.6. The method of claim 2, wherein the pharmaceutical composition furthercomprises one or more of pharmaceutically acceptable excipients,diluents or carriers.
 7. The method of claim 2, wherein inflammationassociated with an IL-17A mediated pathological condition is reduced,wherein the IL-17A mediated pathological condition is selected from thegroup consisting of arthritis, rheumatoid arthritis, asthma, pelvicinflammatory disease, Crohn's disease, inflammatory bowel disease,ulcerative colitis, Peyronie's disease, coeliac disease, gallbladderdisease, Pilonidal disease, peritonitis, psoriasis, vasculitis, surgicaladhesions, stroke, Type I Diabetes, lyme arthritis, multiple sclerosis,Guillain-Barr syndrome, pancreatitis, trauma associated with surgery,graft-versus-host disease, transplant rejection, myocardial-infarction,atherosclerosis, intravascular coagulation, bone resorption,osteoporosis, periodontitis, hypochlorhydia, pain, inflammatory diseaseand autoimmune disease.